General Information of the Compound
| Compound ID |
CP0874064
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| Compound Name |
N-((1R,3r,5S)-8-(8-(1,3-dioxoisoindolin-2-yl)octyl)-8-azabicyclo[3.2.1]octan-3-yl)-1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
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| Formula |
C36H44N4O4
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| Molecular Weight |
596.772
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| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCCCCCCCN2C(=O)c3ccccc3C2=O)cc2ccccc21
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| InChI |
InChI=1S/C36H44N4O4/c1-24(2)40-32-16-10-7-13-25(32)21-31(36(40)44)33(41)37-26-22-27-17-18-28(23-26)38(27)19-11-5-3-4-6-12-20-39-34(42)29-14-8-9-15-30(29)35(39)43/h7-10,13-16,21,24,26-28H,3-6,11-12,17-20,22-23H2,1-2H3,(H,37,41)/t26-,27+,28-
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| InChIKey |
GGRRKTMSURXTIF-OUOZDZGXSA-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