General Information of the Compound
| Compound ID |
CP0059670
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| Compound Name |
N-[(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-(methylsulfonylmethyl)cyclohexyl]-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H34F3N3O4S
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| Molecular Weight |
517.614
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| Canonical SMILES |
CC(C)N(C)[C@@H]1CC[C@@H]([C@H](CS(C)(=O)=O)C1)N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O
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| InChI |
InChI=1S/C24H34F3N3O4S/c1-15(2)29(3)19-8-9-21(17(13-19)14-35(4,33)34)30-11-10-20(23(30)32)28-22(31)16-6-5-7-18(12-16)24(25,26)27/h5-7,12,15,17,19-21H,8-11,13-14H2,1-4H3,(H,28,31)/t17-,19+,20-,21-/m0/s1
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| InChIKey |
KZYUPKXEHNEFIY-NRDMVMEKSA-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