Mrv1572004031614332D          

 27 30  0  0  0  0            999 V2000
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   -0.0125    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  9  3  0  0  0  0
  9 13  1  0  0  0  0
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  4  5  2  0  0  0  0
 23 21  2  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
> <DATABASE_ID>
DB08883

> <DATABASE_NAME>
drugbank

> <SMILES>
O=C1N(C=C(C=C1C1=CC=CC=C1C#N)C1=NC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H

> <INCHI_KEY>
PRMWGUBFXWROHD-UHFFFAOYSA-N

> <FORMULA>
C23H15N3O

> <MOLECULAR_WEIGHT>
349.393

> <EXACT_MASS>
349.121512115

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
38.02821567028627

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-{6'-oxo-1'-phenyl-1',6'-dihydro-[2,3'-bipyridine]-5'-yl}benzonitrile

> <ALOGPS_LOGP>
3.54

> <JCHEM_LOGP>
4.106756875666667

> <ALOGPS_LOGS>
-4.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.009284228450634

> <JCHEM_POLAR_SURFACE_AREA>
56.99

> <JCHEM_REFRACTIVITY>
104.74140000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.60e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{6'-oxo-1'-phenyl-[2,3'-bipyridine]-5'-yl}benzonitrile

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08883

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Perampanel

> <SYNONYMS>
3-(2-Cyanophenyl)-5-(2-pyridyl)-1-phenyl-1,2-dihydropyridin-2-one; Perampanel; Pérampanel; Perampanelum

> <PRODUCTS>
Fycompa; Taro-perampanel

> <SALTS>
Perampanel hydrate

$$$$