General Information of the Compound
| Compound ID |
CP0412874
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| Compound Name |
3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H21F5N4
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| Molecular Weight |
436.428
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| Canonical SMILES |
Fc1ccc(C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C22H21F5N4/c23-15-3-4-16(17(24)12-15)14-5-8-30(9-6-14)18-7-10-31-19(11-13-1-2-13)28-29-21(31)20(18)22(25,26)27/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2
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| InChIKey |
OYQKQASXFZFMKT-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