
 CHEMBL1222864

 79 84  0  0  0  0  0  0  0  0999 V2000
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    2.8944    1.3110    7.2595 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1222864

>  <PubChem CID>
46933530

>  <Formula>
C30H40N6O3

>  <Molecular Weight>
532.689000

>  <IUPAC Name>
1-(2-morpholin-4-ylethyl)-3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-2-one

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1C(=O)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCN5CCOCC5)CC6=CC=NC=C6

>  <Isomeric SMILES>
C1CN(CCC1C(=O)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCN5CCOCC5)CC6=CC=NC=C6

>  <InChI Std. ID>
InChI=1S/C30H40N6O3/c37-29(25-7-13-33(14-8-25)23-24-5-11-31-12-6-24)34-15-9-26(10-16-34)36-28-4-2-1-3-27(28)35(30(36)38)18-17-32-19-21-39-22-20-32/h1-6,11-12,25-26H,7-10,13-23H2

>  <InChI Key>
CULSXUUODLMOSV-UHFFFAOYSA-N

