General Information of the Compound
| Compound ID |
CP0490270
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| Compound Name |
3-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-cyclopentylsulfanyl-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C21H23ClN4OS
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| Molecular Weight |
414.962
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| Canonical SMILES |
Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc(C)c1Cl
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| InChI |
InChI=1S/C21H23ClN4OS/c1-14-10-17(11-15(2)20(14)22)27-13-19-24-25-21(28-18-7-3-4-8-18)26(19)16-6-5-9-23-12-16/h5-6,9-12,18H,3-4,7-8,13H2,1-2H3
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| InChIKey |
OJYCLLABLJLPEC-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