
 CHEMBL196467

 46 49  0  0  0  0  0  0  0  0999 V2000
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    4.1480   -9.2721  -10.6708 H   0  0  0  0  0
    2.5607  -11.1142  -10.0174 H   0  0  0  0  0
    1.6959   -9.1177   -6.5245 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL196467

>  <PubChem CID>
11695489

>  <Formula>
C19H22N4O

>  <Molecular Weight>
322.412000

>  <IUPAC Name>
N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]pyrazin-2-amine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCCN1CCC2=CC3=C(O2)C=CC(=C3)NC4=NC=CN=C4

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCC2=CC3=C(O2)C=CC(=C3)NC4=NC=CN=C4

>  <InChI Std. ID>
InChI=1S/C19H22N4O/c1-14-3-2-9-23(14)10-6-17-12-15-11-16(4-5-18(15)24-17)22-19-13-20-7-8-21-19/h4-5,7-8,11-14H,2-3,6,9-10H2,1H3,(H,21,22)/t14-/m1/s1

>  <InChI Key>
APPCHERHMITZAR-CQSZACIVSA-N

