General Information of the Compound
| Compound ID |
CP0571079
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| Compound Name |
(3S)-N-[(3-chloro-2,4-difluorophenyl)-[5-chloro-6-(trifluoromethyl)pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
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| Formula |
C18H12Cl2F5N3O2
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| Molecular Weight |
468.209
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| Canonical SMILES |
Fc1ccc(C(NC(=O)[C@@H]2CNC(=O)C2)c2cnc(c(Cl)c2)C(F)(F)F)c(F)c1Cl
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| InChI |
InChI=1S/C18H12Cl2F5N3O2/c19-10-3-7(5-27-16(10)18(23,24)25)15(9-1-2-11(21)13(20)14(9)22)28-17(30)8-4-12(29)26-6-8/h1-3,5,8,15H,4,6H2,(H,26,29)(H,28,30)/t8-,15?/m0/s1
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| InChIKey |
XLYGMWFKGSHCJD-CYQMCQFNSA-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