General Information of the Compound
| Compound ID |
CP0528282
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| Compound 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
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| Structure |
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| Formula |
C34H34N4O2
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| Molecular Weight |
530.672
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| Canonical SMILES |
CC(C)(C)C(=O)N(C[C@@H]1CCc2ccccc12)Cc1ccc2nc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41
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| InChI |
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
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| InChIKey |
BVIMNXCPSGSFBX-HUBRWUETSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound