General Information of the Compound
| Compound ID |
CP0389032
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| Compound Name |
3-cyclohexyl-8-[(2,6-dichlorophenyl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C19H19Cl2N3S
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| Molecular Weight |
392.355
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| Canonical SMILES |
Clc1cccc(Cl)c1SCc1cccn2c(nnc12)C1CCCCC1
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| InChI |
InChI=1S/C19H19Cl2N3S/c20-15-9-4-10-16(21)17(15)25-12-14-8-5-11-24-18(22-23-19(14)24)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2
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| InChIKey |
XWXSJRURIQBJPT-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