General Information of the Compound
| Compound ID |
CP0003618
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| Compound Name |
8-chloro-3-(cyclopropylmethyl)-7-[4-(2-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H25ClN4O
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| Molecular Weight |
396.922
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl
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| InChI |
InChI=1S/C22H25ClN4O/c1-28-19-5-3-2-4-17(19)16-8-11-26(12-9-16)18-10-13-27-20(14-15-6-7-15)24-25-22(27)21(18)23/h2-5,10,13,15-16H,6-9,11-12,14H2,1H3
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| InChIKey |
ICUSIXLCKGVCSQ-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