General Information of the Compound
| Compound ID |
CP0501230
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-7-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
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| Structure |
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| Formula |
C23H16F6N4O
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| Molecular Weight |
478.396
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| Canonical SMILES |
Cc1c(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(cc2nncn12)-c1ccccc1
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| InChI |
InChI=1S/C23H16F6N4O/c1-13-20(18(15-5-3-2-4-6-15)10-19-32-31-12-33(13)19)21(34)30-11-14-7-16(22(24,25)26)9-17(8-14)23(27,28)29/h2-10,12H,11H2,1H3,(H,30,34)
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| InChIKey |
SOVZPUNJPSNXQR-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