General Information of the Compound
| Compound ID |
CP0528311
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| Compound Name |
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-(benzylamino)-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C33H40F3N5O3
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| Molecular Weight |
611.709
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| Canonical SMILES |
Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NCc2ccccc2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)15-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)26-16-25(33(34,35)36)13-14-27(26)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1
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| InChIKey |
RATLHLFNSBYGID-NDEPHWFRSA-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