General Information of the Compound
| Compound ID |
CP0388458
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| Compound Name |
3-(cyclopropylmethyl)-7-[2-(4-fluorophenyl)-2-methylpropoxy]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H21F4N3O
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| Molecular Weight |
407.411
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| Canonical SMILES |
CC(C)(COc1ccn2c(CC3CC3)nnc2c1C(F)(F)F)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H21F4N3O/c1-20(2,14-5-7-15(22)8-6-14)12-29-16-9-10-28-17(11-13-3-4-13)26-27-19(28)18(16)21(23,24)25/h5-10,13H,3-4,11-12H2,1-2H3
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| InChIKey |
GVNMFLITEIDTLW-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