Mrv2304 09152322232D          

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M  END
> <DATABASE_ID>
DB18306

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)OC1=CC=C(C(=O)NC2=CC=C(OC3=C(C=C4N(C)N=CC4=C3)C3=CNN=C3)C(F)=C2)C(=O)N1C1=CC=C(F)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C32H26F2N6O4/c1-18(2)43-30-11-9-24(32(42)40(30)23-7-4-21(33)5-8-23)31(41)38-22-6-10-28(26(34)13-22)44-29-12-19-17-37-39(3)27(19)14-25(29)20-15-35-36-16-20/h4-18H,1-3H3,(H,35,36)(H,38,41)

> <INCHI_KEY>
XSDZOIYDMHIIAQ-UHFFFAOYSA-N

> <FORMULA>
C32H26F2N6O4

> <MOLECULAR_WEIGHT>
596.595

> <EXACT_MASS>
596.198359667

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.9144629273013398

> <JCHEM_AVERAGE_POLARIZABILITY>
60.10151136317658

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-2-oxo-6-(propan-2-yloxy)-1,2-dihydropyridine-3-carboxamide

> <JCHEM_LOGP>
5.126071685333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.803701629016

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.0303492678706

> <JCHEM_PKA_STRONGEST_BASIC>
2.266516706278627

> <JCHEM_POLAR_SURFACE_AREA>
114.36999999999999

> <JCHEM_REFRACTIVITY>
182.99659999999992

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-isopropoxy-2-oxopyridine-3-carboxamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB18306

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
TSN-084

> <SYNONYMS>
3-PYRIDINECARBOXAMIDE, N-(3-FLUORO-4-((1-METHYL-6-(1H-PYRAZOL-4-YL)-1H-INDAZOL-5-YL)OXY)PHENYL)-1-(4-FLUOROPHENYL)-1,2-DIHYDRO-6-(1-METHYLETHOXY)-2-OXO-; N-[3-fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-1,2-dihydro-6-(1-methylethoxy)-2-oxo-3-pyridinecarboxamide

$$$$