General Information of the Compound
| Compound ID |
CP0477586
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| Compound Name |
(S)-3-(((S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl)methyl)-6,8-dihydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
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| Structure |
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| Formula |
C32H28F2N4O2
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| Molecular Weight |
538.598
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| Canonical SMILES |
CC1(C)CC[C@H](N(Cc2cnc3cc4C[C@]5(Cc4cc3c2)C(=O)Nc2ncccc52)C1=O)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C32H28F2N4O2/c1-31(2)6-5-27(20-10-23(33)13-24(34)11-20)38(30(31)40)17-18-8-19-9-21-14-32(15-22(21)12-26(19)36-16-18)25-4-3-7-35-28(25)37-29(32)39/h3-4,7-13,16,27H,5-6,14-15,17H2,1-2H3,(H,35,37,39)/t27-,32-/m0/s1
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| InChIKey |
FBNCTOZHNJBCSF-UCGGBYDDSA-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