General Information of the Compound
| Compound ID |
CP0502999
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| Compound Name |
(R)-N2-(4-Chlorobenzyl)-N2-methyl-N1-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C20H19ClF3N3O2
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| Molecular Weight |
425.838
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCN1C(=O)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H19ClF3N3O2/c1-26(12-13-2-6-15(21)7-3-13)18(28)17-10-11-27(17)19(29)25-16-8-4-14(5-9-16)20(22,23)24/h2-9,17H,10-12H2,1H3,(H,25,29)/t17-/m1/s1
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| InChIKey |
IVZVJHKTPLQQLA-QGZVFWFLSA-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