General Information of the Compound
| Compound ID |
CP0578649
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| Compound Name |
(3S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)pyridin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C18H13ClF5N3O2
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| Molecular Weight |
433.764
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| Canonical SMILES |
Fc1ccc(cc1Cl)C(NC(=O)[C@@H]1CNC(=O)C1)c1ccc(F)c(n1)C(F)(F)F
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| InChI |
InChI=1S/C18H13ClF5N3O2/c19-10-5-8(1-2-11(10)20)15(27-17(29)9-6-14(28)25-7-9)13-4-3-12(21)16(26-13)18(22,23)24/h1-5,9,15H,6-7H2,(H,25,28)(H,27,29)/t9-,15?/m0/s1
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| InChIKey |
VVNDRVPPZFQJLX-HJULIUOESA-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