
 CHEMBL106065

 78 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL106065

>  <PubChem CID>
44334155

>  <Formula>
C33H34F3N5O3

>  <Molecular Weight>
605.662000

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

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCC(CC1)(CNC(=O)C2(CCC3=C(C2)C4=CC=CC=C4N3)NC(=O)NC5=CC=C(C=C5)OC(F)(F)F)C6=CC=CC=N6

>  <Isomeric SMILES>
C1CCC(CC1)(CNC(=O)C2(CCC3=C(C2)C4=CC=CC=C4N3)NC(=O)NC5=CC=C(C=C5)OC(F)(F)F)C6=CC=CC=N6

>  <InChI Std. ID>
InChI=1S/C33H34F3N5O3/c34-33(35,36)44-23-13-11-22(12-14-23)39-30(43)41-32(18-15-27-25(20-32)24-8-2-3-9-26(24)40-27)29(42)38-21-31(16-5-1-6-17-31)28-10-4-7-19-37-28/h2-4,7-14,19,40H,1,5-6,15-18,20-21H2,(H,38,42)(H2,39,41,43)

>  <InChI Key>
BPCFMFDDQQKBBY-UHFFFAOYSA-N

