General Information of the Compound
| Compound ID |
CP0496248
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| Compound Name |
2-Chloromethyl-4-phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Structure |
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| Formula |
C26H17ClF6N2O
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| Molecular Weight |
522.876
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)c2c(CCl)nc3ccccc3c2-c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H17ClF6N2O/c27-13-21-23(22(16-6-2-1-3-7-16)19-8-4-5-9-20(19)35-21)24(36)34-14-15-10-17(25(28,29)30)12-18(11-15)26(31,32)33/h1-12H,13-14H2,(H,34,36)
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| InChIKey |
SGMZMUYLZYFEAL-UHFFFAOYSA-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