General Information of the Compound
| Compound ID |
CP0123841
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| Compound Name |
(1S)-N1-(4-chlorobenzyl)-N1-methyl-N2-(4-(trifluoromethyl)phenyl)cyclopentane-1,2-dicarboxamide
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| Structure |
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| Formula |
C21H21ClF3N3O2
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| Molecular Weight |
439.865
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H21ClF3N3O2/c1-27(13-14-4-8-16(22)9-5-14)19(29)18-3-2-12-28(18)20(30)26-17-10-6-15(7-11-17)21(23,24)25/h4-11,18H,2-3,12-13H2,1H3,(H,26,30)/t18-/m1/s1
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| InChIKey |
QSEJUFNTTKWQER-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