General Information of the Compound
| Compound ID |
CP0475294
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| Compound Name |
3-(cyclopropylmethyl)-7-[4-(2,6-dimethylpyridin-4-yl)oxy-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C24H20F4N4O
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| Molecular Weight |
456.443
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| Canonical SMILES |
Cc1cc(Oc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cc(C)n1
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| InChI |
InChI=1S/C24H20F4N4O/c1-13-9-17(10-14(2)29-13)33-20-6-5-16(12-19(20)25)18-7-8-32-21(11-15-3-4-15)30-31-23(32)22(18)24(26,27)28/h5-10,12,15H,3-4,11H2,1-2H3
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| InChIKey |
AGALLFGKUGSMHT-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