
 CHEMBL1269645

 74 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1269645

>  <PubChem CID>
52941862

>  <Formula>
C34H34N4O2

>  <Molecular Weight>
530.672000

>  <IUPAC Name>
N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2,2-dimethyl-N-[[(2S)-2'-oxospiro[1,3-dihydrocyclopenta[b]quinoline-2,3'-1H-pyrrolo[2,3-b]pyridine]-7-yl]methyl]propanamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)C(=O)N(CC1CCC2=CC=CC=C12)CC3=CC4=CC5=C(CC6(C5)C7=C(NC6=O)N=CC=C7)N=C4C=C3

>  <Isomeric SMILES>
CC(C)(C)C(=O)N(C[C@@H]1CCC2=CC=CC=C12)CC3=CC4=CC5=C(C[C@@]6(C5)C7=C(NC6=O)N=CC=C7)N=C4C=C3

>  <InChI Std. ID>
InChI=1S/C34H34N4O2/c1-33(2,3)32(40)38(20-23-12-11-22-7-4-5-8-26(22)23)19-21-10-13-28-24(15-21)16-25-17-34(18-29(25)36-28)27-9-6-14-35-30(27)37-31(34)39/h4-10,13-16,23H,11-12,17-20H2,1-3H3,(H,35,37,39)/t23-,34-/m0/s1

>  <InChI Key>
BVIMNXCPSGSFBX-HUBRWUETSA-N

