General Information of the Compound
| Compound ID |
CP0471239
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| Compound Name |
3-[3-cyclopentylsulfanyl-5-[(3,5-dichlorophenoxy)methyl]-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C19H18Cl2N4OS
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| Molecular Weight |
421.353
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| Canonical SMILES |
Clc1cc(Cl)cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1
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| InChI |
InChI=1S/C19H18Cl2N4OS/c20-13-8-14(21)10-16(9-13)26-12-18-23-24-19(27-17-5-1-2-6-17)25(18)15-4-3-7-22-11-15/h3-4,7-11,17H,1-2,5-6,12H2
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| InChIKey |
GGHZTDKHIZRELM-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