
 CHEMBL319705

 80 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL319705

>  <PubChem CID>
44334156

>  <Formula>
C34H39N5O2

>  <Molecular Weight>
549.719000

>  <IUPAC Name>
3-[(2,6-dimethylphenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)NC(=O)NC2(CCC3=C(C2)C4=CC=CC=C4N3)C(=O)NCC5(CCCCC5)C6=CC=CC=N6

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)NC(=O)NC2(CCC3=C(C2)C4=CC=CC=C4N3)C(=O)NCC5(CCCCC5)C6=CC=CC=N6

>  <InChI Std. ID>
InChI=1S/C34H39N5O2/c1-23-11-10-12-24(2)30(23)38-32(41)39-34(19-16-28-26(21-34)25-13-4-5-14-27(25)37-28)31(40)36-22-33(17-7-3-8-18-33)29-15-6-9-20-35-29/h4-6,9-15,20,37H,3,7-8,16-19,21-22H2,1-2H3,(H,36,40)(H2,38,39,41)

>  <InChI Key>
CILYWPVHRFRVQX-UHFFFAOYSA-N

