General Information of the Compound
| Compound ID |
CP0415595
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| Compound Name |
(R)-N2-(4-Chlorobenzyl)-N1-[2-fluoro-4-(trifluoromethyl)phenyl]-N2-methylpyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C21H20ClF4N3O2
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| Molecular Weight |
457.855
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1F)C(F)(F)F
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| InChI |
InChI=1S/C21H20ClF4N3O2/c1-28(12-13-4-7-15(22)8-5-13)19(30)18-3-2-10-29(18)20(31)27-17-9-6-14(11-16(17)23)21(24,25)26/h4-9,11,18H,2-3,10,12H2,1H3,(H,27,31)/t18-/m1/s1
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| InChIKey |
CBWXWWZGSKPBOX-GOSISDBHSA-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