General Information of the Compound
| Compound ID |
CP0457348
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide
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| Structure |
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| Formula |
C27H18F6N4O
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| Molecular Weight |
528.456
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(-c2ccccc2)c2ccccc2n2cnnc12
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| InChI |
InChI=1S/C27H18F6N4O/c1-36(14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33)25(38)23-22(17-7-3-2-4-8-17)20-9-5-6-10-21(20)37-15-34-35-24(23)37/h2-13,15H,14H2,1H3
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| InChIKey |
WPCFOAVCANXHTJ-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