General Information of the Compound
| Compound ID |
CP0511600
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| Compound Name |
2-[4-[4-[(3-chlorophenyl)methyl]-5-(triazol-2-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
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| Structure |
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| Formula |
C22H23ClN8
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| Molecular Weight |
434.935
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| Canonical SMILES |
Clc1cccc(Cn2c(Cn3nccn3)nnc2C2CCN(CC2)c2ccccn2)c1
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| InChI |
InChI=1S/C22H23ClN8/c23-19-5-3-4-17(14-19)15-30-21(16-31-25-10-11-26-31)27-28-22(30)18-7-12-29(13-8-18)20-6-1-2-9-24-20/h1-6,9-11,14,18H,7-8,12-13,15-16H2
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| InChIKey |
UQUNYRCRIJTIHK-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