
 CHEMBL87079

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL87079

>  <PubChem CID>
44321085

>  <Formula>
C31H35N5O2

>  <Molecular Weight>
509.654000

>  <IUPAC Name>
(2S)-3-(1H-indol-3-yl)-2-methyl-2-(phenylcarbamoylamino)-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)NC5=CC=CC=C5

>  <Isomeric SMILES>
C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)NC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C31H35N5O2/c1-30(36-29(38)35-24-12-4-2-5-13-24,20-23-21-33-26-15-7-6-14-25(23)26)28(37)34-22-31(17-9-3-10-18-31)27-16-8-11-19-32-27/h2,4-8,11-16,19,21,33H,3,9-10,17-18,20,22H2,1H3,(H,34,37)(H2,35,36,38)/t30-/m0/s1

>  <InChI Key>
KBRYXXQXNXKGKB-PMERELPUSA-N

