SC9
  Mrv0541 02241214092D          

 24 27  0  0  0  0            999 V2000
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   -0.8372    1.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6218    0.1477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067    0.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1227    1.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8372   -1.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3063    2.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0207    0.4026    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
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  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
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 24 19  1  0  0  0  0
M  END
> <DATABASE_ID>
DB08532

> <DATABASE_NAME>
drugbank

> <SMILES>
FC1=CC=CC=C1C1=CN2C=CN=C2C(NCC2=CC=CN=C2)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C18H14FN5/c19-15-6-2-1-5-14(15)16-12-24-9-8-21-18(24)17(23-16)22-11-13-4-3-7-20-10-13/h1-10,12H,11H2,(H,22,23)

> <INCHI_KEY>
WCNPGRRMPFCHEO-UHFFFAOYSA-N

> <FORMULA>
C18H14FN5

> <MOLECULAR_WEIGHT>
319.3357

> <EXACT_MASS>
319.123323678

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.007066976446083991

> <JCHEM_AVERAGE_POLARIZABILITY>
33.196735384860034

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-(2-fluorophenyl)-N-[(pyridin-3-yl)methyl]imidazo[1,2-a]pyrazin-8-amine

> <ALOGPS_LOGP>
3.18

> <JCHEM_LOGP>
2.2916909690000002

> <ALOGPS_LOGS>
-4.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.70582256849665

> <JCHEM_PKA_STRONGEST_BASIC>
4.855013737114041

> <JCHEM_POLAR_SURFACE_AREA>
55.11

> <JCHEM_REFRACTIVITY>
91.72310000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.78e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08532

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

$$$$