Mrv2304 09082321412D          

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M  END
> <DATABASE_ID>
DB18072

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=CC=C(C=C1OC)C1=CN=CC(N[C@@H](C)C2=CC=CC(NC(=O)C3=CN=CC(C)=C3)=C2)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1

> <INCHI_KEY>
JHJNPOSPVGRIAN-SFHVURJKSA-N

> <FORMULA>
C27H27N5O3

> <MOLECULAR_WEIGHT>
469.545

> <EXACT_MASS>
469.211389749

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.9936718896048151

> <JCHEM_AVERAGE_POLARIZABILITY>
51.537647725432954

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-{3-[(1S)-1-{[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}-5-methylpyridine-3-carboxamide

> <JCHEM_LOGP>
3.851551685666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.83057078107451

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.062876025461339

> <JCHEM_PKA_STRONGEST_BASIC>
3.9951752140294845

> <JCHEM_POLAR_SURFACE_AREA>
98.26

> <JCHEM_REFRACTIVITY>
137.39129999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
N-{3-[(1S)-1-{[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}-5-methylpyridine-3-carboxamide

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB18072

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Seralutinib

> <SYNONYMS>
3-pyridinecarboxamide, n-(3-((1s)-1-((6-(3,4-dimethoxyphenyl)-2-pyrazinyl)amino)ethyl)phenyl)-5-methyl-; N-(3-((1s)-1-((6-(3,4-dimethoxyphenyl)-2-pyrazinyl)amino)ethyl)phenyl)-5-methyl-3-pyridinecarboxamide

$$$$