General Information of the Compound
| Compound ID |
CP0441949
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| Compound Name |
8-chloro-3-(cyclopropylmethyl)-7-[4-(3-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 |
COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
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| InChI |
InChI=1S/C22H24ClFN4O/c1-29-21-16(3-2-4-17(21)24)15-7-10-27(11-8-15)18-9-12-28-19(13-14-5-6-14)25-26-22(28)20(18)23/h2-4,9,12,14-15H,5-8,10-11,13H2,1H3
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| InChIKey |
QTWUWSMYXSGDDN-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