
 PD165929

 91 95  0  0  0  0  0  0  0  0999 V2000
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    2.8422   -3.2527    7.6088 H   0  0  0  0  0
    1.3570   -4.2762    5.2952 H   0  0  0  0  0
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   -1.7492   -0.6944    6.4757 H   0  0  0  0  0
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M  END

>  <Chemical Name>
PD165929

>  <PubChem CID>
5311352

>  <Formula>
C37H47N5O2

>  <Molecular Weight>
593.816000

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

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC(C)(CC2=CNC3=CC=CC=C32)C(=O)NCC4(CCCCC4)C5=CC=CC=N5

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N[C@@](C)(CC2=CNC3=CC=CC=C32)C(=O)NCC4(CCCCC4)C5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1

>  <InChI Key>
RVCSRPVACXMJEL-BHVANESWSA-N

