
 CHEMBL409351

 79 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL409351

>  <PubChem CID>
44451572

>  <Formula>
C32H40N4O3

>  <Molecular Weight>
528.697000

>  <IUPAC Name>
1-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)benzimidazol-2-one

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=C(C=C1)OC)OC(CCN2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CC5=CC=NC=C5)C(C)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)OC)OC(CCN2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CC5=CC=NC=C5)C(C)C

>  <InChI Std. ID>
InChI=1S/C32H40N4O3/c1-23(2)30(39-31-21-27(38-4)10-9-24(31)3)15-20-34-18-13-26(14-19-34)36-29-8-6-5-7-28(29)35(32(36)37)22-25-11-16-33-17-12-25/h5-12,16-17,21,23,26,30H,13-15,18-20,22H2,1-4H3

>  <InChI Key>
AYYSGMZEWUNOSV-UHFFFAOYSA-N

