General Information of the Compound
| Compound ID |
CP0384625
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carboxamide
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| Structure |
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| Formula |
C26H16F6N4O
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| Molecular Weight |
514.429
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)c2c(-c3ccccc3)c3ccccc3n3cnnc23)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H16F6N4O/c27-25(28,29)17-10-15(11-18(12-17)26(30,31)32)13-33-24(37)22-21(16-6-2-1-3-7-16)19-8-4-5-9-20(19)36-14-34-35-23(22)36/h1-12,14H,13H2,(H,33,37)
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| InChIKey |
QXSXGOZFQYUICU-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