
 CHEMBL218151

 57 60  0  0  0  0  0  0  0  0999 V2000
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    1.6137   -5.8125    7.0540 Cl  0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL218151

>  <PubChem CID>
10479822

>  <Formula>
C24H25Cl2N5O

>  <Molecular Weight>
470.398000

>  <IUPAC Name>
6-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC3=C(N2)C=C(C=C3)C#N)C4=C(C(=CC=C4)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC3=C(N2)C=C(C=C3)C#N)C4=C(C(=CC=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C24H25Cl2N5O/c25-19-4-3-5-22(23(19)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)21-15-18-7-6-17(16-27)14-20(18)29-21/h3-7,14-15,29H,1-2,8-13H2,(H,28,32)

>  <InChI Key>
AUBVMUJWPOHAEW-UHFFFAOYSA-N

