
 CHEMBL1907682

 89 93  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1907682

>  <PubChem CID>
57391433

>  <Formula>
C37H46N4O2

>  <Molecular Weight>
578.801000

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

>  <XlogP>
8.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC(C)(CC2=CNC3=CC=CC=C32)C(=O)NC4CCCCC4C5=CC=CC=C5

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N[C@@](C)(CC2=CNC3=CC=CC=C32)C(=O)NC4CCCCC4C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C37H46N4O2/c1-24(2)28-18-13-19-29(25(3)4)34(28)40-36(43)41-37(5,22-27-23-38-32-20-11-9-17-31(27)32)35(42)39-33-21-12-10-16-30(33)26-14-7-6-8-15-26/h6-9,11,13-15,17-20,23-25,30,33,38H,10,12,16,21-22H2,1-5H3,(H,39,42)(H2,40,41,43)/t30?,33?,37-/m0/s1

>  <InChI Key>
FPXQVXWPGHSEEF-VHPZEBDXSA-N

