General Information of the Compound
| Compound ID |
CP0532319
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| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-2-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2,5-dioxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C29H34F3N3O5S
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| Molecular Weight |
593.668
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| Canonical SMILES |
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1C(=O)C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C29H34F3N3O5S/c1-18(2)34(3)22-12-13-25(20(15-22)17-41(39,40)23-10-5-4-6-11-23)35-26(36)16-24(28(35)38)33-27(37)19-8-7-9-21(14-19)29(30,31)32/h4-11,14,18,20,22,24-25H,12-13,15-17H2,1-3H3,(H,33,37)/t20-,22+,24-,25-/m0/s1
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| InChIKey |
MNJLHCYPHRHQLE-OZTAZYLFSA-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