General Information of the Compound
| Compound ID |
CP0499593
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| Compound Name |
8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H21ClF2N4
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| Molecular Weight |
402.876
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| Canonical SMILES |
Fc1ccc(C2CCN(CC2)c2ccn3c(CC4CC4)nnc3c2Cl)c(F)c1
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| InChI |
InChI=1S/C21H21ClF2N4/c22-20-18(7-10-28-19(11-13-1-2-13)25-26-21(20)28)27-8-5-14(6-9-27)16-4-3-15(23)12-17(16)24/h3-4,7,10,12-14H,1-2,5-6,8-9,11H2
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| InChIKey |
VEYCZBOQOUBOIW-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