
 CHEMBL520461

 67 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL520461

>  <PubChem CID>
44579914

>  <Formula>
C29H30N6O2

>  <Molecular Weight>
494.599000

>  <IUPAC Name>
[(2S)-1-(1-benzylbenzimidazole-2-carbonyl)pyrrolidin-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C(=O)N5CCN(CC5)C6=CC=NC=C6

>  <Isomeric SMILES>
C1C[C@H](N(C1)C(=O)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C(=O)N5CCN(CC5)C6=CC=NC=C6

>  <InChI Std. ID>
InChI=1S/C29H30N6O2/c36-28(33-19-17-32(18-20-33)23-12-14-30-15-13-23)26-11-6-16-34(26)29(37)27-31-24-9-4-5-10-25(24)35(27)21-22-7-2-1-3-8-22/h1-5,7-10,12-15,26H,6,11,16-21H2/t26-/m0/s1

>  <InChI Key>
BNFHYHIGCYLQMP-SANMLTNESA-N

