General Information of the Compound
| Compound ID |
CP0528774
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| Compound Name |
3-[3-cyclopentylsulfanyl-5-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
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| Structure |
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| Formula |
C26H26N4O3S2
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| Molecular Weight |
506.653
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1
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| InChI |
InChI=1S/C26H26N4O3S2/c1-35(31,32)24-10-4-6-20(16-24)19-11-13-22(14-12-19)33-18-25-28-29-26(34-23-8-2-3-9-23)30(25)21-7-5-15-27-17-21/h4-7,10-17,23H,2-3,8-9,18H2,1H3
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| InChIKey |
WDDLJKUBGZVJGW-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