Mrv1909 11242221292D          

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M  END
> <DATABASE_ID>
DB17193

> <DATABASE_NAME>
drugbank

> <SMILES>
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC(=N1)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H44N4O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(31)35-18-20-22(32)23(33)26(36-20)30-19-28-25(29-30)24(27)34/h9-10,19-20,22-23,26,32-33H,2-8,11-18H2,1H3,(H2,27,34)/b10-9+/t20-,22-,23-,26-/m1/s1

> <INCHI_KEY>
HNJWVTLAOZFLEK-OOWZQQDUSA-N

> <FORMULA>
C26H44N4O6

> <MOLECULAR_WEIGHT>
508.66

> <EXACT_MASS>
508.326085153

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.7112514260110968e-05

> <JCHEM_AVERAGE_POLARIZABILITY>
58.368331080508625

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4R,5R)-5-(3-carbamoyl-1H-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (9E)-octadec-9-enoate

> <ALOGPS_LOGP>
5.11

> <JCHEM_LOGP>
4.298334323333334

> <ALOGPS_LOGS>
-5.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.564588348729478

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.879427587920897

> <JCHEM_PKA_STRONGEST_BASIC>
-1.158968486862378

> <JCHEM_POLAR_SURFACE_AREA>
149.79000000000002

> <JCHEM_REFRACTIVITY>
148.48440000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.44e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
altiratinib

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB17193

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Ribavirin elaidate

> <SYNONYMS>
1h-1,2,4-triazole-3-carboxamide, 1-(5-o-((9e)-1-oxo-9-octadecen-1-yl)-.beta.-d-ribofuranosyl)-; Ribavirin-5'-elaidic acid ester

$$$$