General Information of the Compound
| Compound ID |
CP0494201
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| Compound Name |
2-[4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
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| Structure |
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| Formula |
C20H22ClN5
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| Molecular Weight |
367.884
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| Canonical SMILES |
Cc1nnc(C2CCN(CC2)c2ccccn2)n1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C20H22ClN5/c1-15-23-24-20(26(15)14-16-5-4-6-18(21)13-16)17-8-11-25(12-9-17)19-7-2-3-10-22-19/h2-7,10,13,17H,8-9,11-12,14H2,1H3
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| InChIKey |
BZQLNYLDFAQCPR-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