
 CHEMBL259263

 76 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL259263

>  <PubChem CID>
44451621

>  <Formula>
C30H38N4O3S

>  <Molecular Weight>
534.719000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=C(C=C1)OC)OC(CCN2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CC5=CSC=N5)C(C)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)OC)OC(CCN2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CC5=CSC=N5)C(C)C

>  <InChI Std. ID>
InChI=1S/C30H38N4O3S/c1-21(2)28(37-29-17-25(36-4)10-9-22(29)3)13-16-32-14-11-24(12-15-32)34-27-8-6-5-7-26(27)33(30(34)35)18-23-19-38-20-31-23/h5-10,17,19-21,24,28H,11-16,18H2,1-4H3

>  <InChI Key>
AEKVLGLTXHMUPW-UHFFFAOYSA-N

