General Information of the Compound
| Compound ID |
CP0476780
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| Compound Name |
3-[3-cyclopentylsulfanyl-5-[[4-(4-methoxyphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C26H26N4O2S
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| Molecular Weight |
458.587
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
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| InChI |
InChI=1S/C26H26N4O2S/c1-31-22-12-8-19(9-13-22)20-10-14-23(15-11-20)32-18-25-28-29-26(33-24-6-2-3-7-24)30(25)21-5-4-16-27-17-21/h4-5,8-17,24H,2-3,6-7,18H2,1H3
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| InChIKey |
SNYGHLAZRGGCBG-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