General Information of the Compound
| Compound ID |
CP0054201
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| Compound Name |
8-chloro-3-(cyclopropylmethyl)-7-[4-(5-fluoro-2-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H24ClFN4O
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| Molecular Weight |
414.912
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| Canonical SMILES |
COc1ccc(F)cc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
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| InChI |
InChI=1S/C22H24ClFN4O/c1-29-19-5-4-16(24)13-17(19)15-6-9-27(10-7-15)18-8-11-28-20(12-14-2-3-14)25-26-22(28)21(18)23/h4-5,8,11,13-15H,2-3,6-7,9-10,12H2,1H3
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| InChIKey |
TWDISXDNMABOAR-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