
 CHEMBL102647

 92 97  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL102647

>  <PubChem CID>
44333806

>  <Formula>
C38H46BrN5O2

>  <Molecular Weight>
684.723000

>  <IUPAC Name>
7-bromo-3-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide

>  <XlogP>
8.4

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2(CCC3=C(C2)C4=C(N3)C=C(C=C4)Br)C(=O)NCC5(CCCCC5)C6=CC=CC=N6

>  <Isomeric SMILES>
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2(CCC3=C(C2)C4=C(N3)C=C(C=C4)Br)C(=O)NCC5(CCCCC5)C6=CC=CC=N6

>  <InChI Std. ID>
InChI=1S/C38H46BrN5O2/c1-24(2)27-11-10-12-28(25(3)4)34(27)43-36(46)44-38(19-16-31-30(22-38)29-15-14-26(39)21-32(29)42-31)35(45)41-23-37(17-7-5-8-18-37)33-13-6-9-20-40-33/h6,9-15,20-21,24-25,42H,5,7-8,16-19,22-23H2,1-4H3,(H,41,45)(H2,43,44,46)

>  <InChI Key>
DJNZEMMTTDEZOB-UHFFFAOYSA-N

