
 CHEMBL315660

 79 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL315660

>  <PubChem CID>
44322391

>  <Formula>
C31H42N4O2

>  <Molecular Weight>
502.703000

>  <IUPAC Name>
N-(cyclohexylmethyl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)propanamide

>  <XlogP>
6.800

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4CCCCC4

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C31H42N4O2/c1-20(2)24-14-10-15-25(21(3)4)29(24)35-31(37)34-28(30(36)33-18-22-11-6-5-7-12-22)17-23-19-32-27-16-9-8-13-26(23)27/h8-10,13-16,19-22,28,32H,5-7,11-12,17-18H2,1-4H3,(H,33,36)(H2,34,35,37)

>  <InChI Key>
AYCLEFWSNCDGRW-UHFFFAOYSA-N

