General Information of the Compound
| Compound ID |
CP0380324
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| Compound Name |
2-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
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| Structure |
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| Formula |
C17H13F3N6O2
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| Molecular Weight |
390.325
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| Canonical SMILES |
Cn1cnc(Cn2nc3ccc(cn3c2=O)-c2ccc(OC(F)(F)F)cc2)n1
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| InChI |
InChI=1S/C17H13F3N6O2/c1-24-10-21-14(22-24)9-26-16(27)25-8-12(4-7-15(25)23-26)11-2-5-13(6-3-11)28-17(18,19)20/h2-8,10H,9H2,1H3
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| InChIKey |
PKMGMZYOIJAWBK-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