General Information of the Compound
| Compound ID |
CP0417647
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| Compound Name |
2-chloro-N-cyclopropyl-4-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]aniline
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| Structure |
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| Formula |
C20H18ClF3N4
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| Molecular Weight |
406.839
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| Canonical SMILES |
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CC2)c(Cl)c1
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| InChI |
InChI=1S/C20H18ClF3N4/c21-15-10-12(3-6-16(15)25-13-4-5-13)14-7-8-28-17(9-11-1-2-11)26-27-19(28)18(14)20(22,23)24/h3,6-8,10-11,13,25H,1-2,4-5,9H2
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| InChIKey |
AONHSWKVTDQGAU-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