General Information of the Compound
| Compound ID |
CP0558801
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| Compound Name |
(2S,3aS,7aS)-N-[(2S)-3-(4-cyanophenyl)-1-(methylamino)-1-oxopropan-2-yl]-1-prop-2-enoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
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| Structure |
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| Formula |
C23H28N4O3
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| Molecular Weight |
408.502
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C=C
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| InChI |
InChI=1S/C23H28N4O3/c1-3-21(28)27-19-7-5-4-6-17(19)13-20(27)23(30)26-18(22(29)25-2)12-15-8-10-16(14-24)11-9-15/h3,8-11,17-20H,1,4-7,12-13H2,2H3,(H,25,29)(H,26,30)/t17-,18-,19-,20-/m0/s1
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| InChIKey |
DRVRBPKACRMBQV-MUGJNUQGSA-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