Beschreibung MQAE cation · CAS 124505-60-8 · C14H16NO3+. Identifikation CAS-Nummer124505-60-8PubChem CID130205SummenformelC14H16NO3+IUPAC-Nameethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate Berechnete Deskriptoren Molecular Weight246.28XLogP32.7Hydrogen Bond Donor Count0Hydrogen Bond Acceptor Count3Rotatable…
Beschreibung Xanthin-Natriumsalz · CAS 1196-43-6 · C5H3N4NaO2. Identifikation CAS-Nummer1196-43-6PubChem CID14403145SummenformelC5H3N4NaO2IUPAC-Namesodium 3H-purin-7-ide-2,6-dione Berechnete Deskriptoren Molecular Weight174.09Hydrogen Bond Donor Count2Hydrogen Bond Acceptor Count4Rotatable Bond…
Beschreibung NADP-Natriumsalz · CAS 1184-16-3 · C21H27N7NaO17P3. UNII NR2O7P57YA. Identifikation CAS-Nummer1184-16-3PubChem CID5702267SummenformelC21H27N7NaO17P3IUPAC-Namesodium [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphateUNII (FDA)NR2O7P57YA Berechnete Deskriptoren Molecular Weight765.4Hydrogen Bond Donor…
Beschreibung MOPS-Heminatriumsalz · CAS 117961-20-3 · C14H29N2NaO8S2. Identifikation CAS-Nummer117961-20-3PubChem CID23702141SummenformelC14H29N2NaO8S2IUPAC-Namesodium;3-morpholin-4-ylpropane-1-sulfonate;3-morpholin-4-ylpropane-1-sulfonic acid Berechnete Deskriptoren Molecular Weight440.5Hydrogen Bond Donor Count1Hydrogen Bond Acceptor Count10Rotatable Bond…
Beschreibung MBTH · CAS 1128-67-2 · C8H9N3S. UNII NS00023662. Identifikation CAS-Nummer1128-67-2PubChem CID14319SummenformelC8H9N3SIUPAC-Name(3-methyl-1,3-benzothiazol-2-ylidene)hydrazineUNII (FDA)NS00023662 Berechnete Deskriptoren Molecular Weight179.24XLogP31.9Hydrogen Bond Donor Count1Hydrogen Bond Acceptor…
Beschreibung CAPS-Natriumsalz · CAS 105140-23-6 · C9H18NNaO3S. Identifikation CAS-Nummer105140-23-6PubChem CID23666801SummenformelC9H18NNaO3SIUPAC-Namesodium 3-(cyclohexylamino)propane-1-sulfonate Berechnete Deskriptoren Molecular Weight243.30Hydrogen Bond Donor Count1Hydrogen Bond Acceptor Count4Rotatable Bond…
Beschreibung DIPSO-Natriumsalz · CAS 102783-62-0 · C7H16NNaO6S. Identifikation CAS-Nummer102783-62-0PubChem CID23667518SummenformelC7H16NNaO6SIUPAC-Namesodium 3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonate Berechnete Deskriptoren Molecular Weight265.26Hydrogen Bond Donor Count3Hydrogen Bond Acceptor Count7Rotatable Bond…
Beschreibung CAPSO-Natriumsalz · CAS 102601-34-3 · C9H12NO4S-. Identifikation CAS-Nummer102601-34-3PubChem CID7364887SummenformelC9H12NO4S-IUPAC-Name(2S)-3-anilino-2-hydroxypropane-1-sulfonate Berechnete Deskriptoren Molecular Weight230.26XLogP30.1Hydrogen Bond Donor Count2Hydrogen Bond Acceptor Count5Rotatable Bond Count4Exact…
Beschreibung AMPSO-Natriumsalz · CAS 102029-60-7 · C7H16NNaO5S. Identifikation CAS-Nummer102029-60-7PubChem CID44119996SummenformelC7H16NNaO5SIUPAC-Namesodium 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonate Berechnete Deskriptoren Molecular Weight249.26Hydrogen Bond Donor Count3Hydrogen Bond Acceptor Count6Rotatable Bond…
Beschreibung Ensitrelvir Intermediate (Pyrrolidinepropanamide Hydrochloride) · CAS 2628280-48-6 · C7H14ClN3O2. UNII LPM7GSN5KN. Identifikation CAS-Nummer2628280-48-6PubChem CID162368212SummenformelC7H14ClN3O2IUPAC-Name(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochlorideUNII (FDA)LPM7GSN5KN Berechnete Deskriptoren Molecular Weight207.66Hydrogen Bond Donor…
Beschreibung Ensitrelvir Intermediate (Trifluoroacetamido) · CAS 2755812-45-2 · C16H23F3N2O4. UNII 6T8DDM3VQ7. Identifikation CAS-Nummer2755812-45-2PubChem CID163226911SummenformelC16H23F3N2O4IUPAC-Name(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acidUNII (FDA)6T8DDM3VQ7 Berechnete Deskriptoren Molecular Weight364.36XLogP32.8Hydrogen Bond Donor…
Beschreibung 2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline · CAS 1609394-10-6 · C10H12N4O. UNII 66C4UD75CN. Identifikation CAS-Nummer1609394-10-6PubChem CID90135673SummenformelC10H12N4OIUPAC-Name2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilineUNII (FDA)66C4UD75CN Berechnete Deskriptoren Molecular Weight204.23XLogP31Hydrogen Bond Donor Count1Hydrogen Bond Acceptor…
Beschreibung Methyl 4-(Boc-amino)-2-cyclopentene-1-carboxylate · CAS 168683-02-1 · C12H19NO4. Identifikation CAS-Nummer168683-02-1PubChem CID9964776SummenformelC12H19NO4IUPAC-Namemethyl (1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate Berechnete Deskriptoren Molecular Weight241.28XLogP31.6Hydrogen Bond Donor Count1Hydrogen Bond Acceptor Count4Rotatable…
Beschreibung Peramivir Intermediate 2 · CAS 229613-93-8 · C18H30N2O5. Identifikation CAS-Nummer229613-93-8PubChem CID10522092SummenformelC18H30N2O5IUPAC-Namemethyl (3aR,4R,6S,6aS)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate Berechnete Deskriptoren Molecular Weight354.4XLogP32.7Hydrogen Bond Donor Count1Hydrogen Bond Acceptor…
Beschreibung LOXO-292 Intermediate · CAS 1207836-10-9 · C9H6BrN3O. Identifikation CAS-Nummer1207836-10-9PubChem CID58404898SummenformelC9H6BrN3OIUPAC-Name6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile Berechnete Deskriptoren Molecular Weight252.07XLogP31.4Hydrogen Bond Donor Count0Hydrogen Bond Acceptor Count3Rotatable Bond…
Beschreibung (3aR,7aR)-4'-(1,2-Benzisothiazol-3-yl)octahydrospiro[2H-isoindole-2,1'-piperazine] Mesylate · CAS 186204-37-5 · C20H29N3O3S2. UNII 8C6XQ3A7DA. Identifikation CAS-Nummer186204-37-5PubChem CID71578599SummenformelC20H29N3O3S2IUPAC-Name3-[(3aR,7aR)-spiro[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-2,4'-1,4-diazinan-4-ium]-1'-yl]-1,2-benzothiazole;methanesulfonateUNII (FDA)8C6XQ3A7DA Berechnete Deskriptoren Molecular Weight423.6Hydrogen Bond Donor Count0Hydrogen Bond…
Beschreibung 3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone · CAS 881386-01-2 · C11H10Cl2N2O3. UNII FFF2LL3GKK. Identifikation CAS-Nummer881386-01-2PubChem CID58618150SummenformelC11H10Cl2N2O3IUPAC-Name3,3-dichloro-1-(4-nitrophenyl)piperidin-2-oneUNII (FDA)FFF2LL3GKK Berechnete Deskriptoren Molecular Weight289.11XLogP32.8Hydrogen Bond Donor Count0Hydrogen Bond Acceptor…
Beschreibung Selpercatinib (LOXO-292) · CAS 2152628-33-4 · C29H31N7O3. UNII CEGM9YBNGD. Solubility: <1 mg/mL. Identifikation CAS-Nummer2152628-33-4PubChem CID134436906SummenformelC29H31N7O3IUPAC-Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrileUNII (FDA)CEGM9YBNGD Berechnete Deskriptoren Molecular Weight525.6XLogP32.5Hydrogen Bond…
Beschreibung Lurasidon-Hydrochlorid · CAS 367514-88-3 · C28H37ClN4O2S. UNII O0P4I5851I. Identifikation CAS-Nummer367514-88-3PubChem CID11237860SummenformelC28H37ClN4O2SIUPAC-Name(1R,2S,6R,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione;hydrochlorideUNII (FDA)O0P4I5851I Berechnete Deskriptoren Molecular Weight529.1Hydrogen Bond Donor Count1Hydrogen Bond Acceptor…
Beschreibung Phenidon D/S (4-Hydroxymethyl-4-methyl-1-Phenyl-3-Pyrazolidon) · CAS 13047-13-7 · C11H14N2O2. UNII 36N3HE0R0L. Identifikation CAS-Nummer13047-13-7PubChem CID92238SummenformelC11H14N2O2IUPAC-Name4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-oneUNII (FDA)36N3HE0R0L Berechnete Deskriptoren Molecular Weight206.24XLogP31.5Hydrogen Bond Donor Count2Hydrogen…
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