General Information of the Compound
| Compound ID |
CP0437895
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| Compound Name |
methyl 4-[2-[1-(2,3-dimethoxyphenyl)triazol-4-yl]phenyl]sulfanylbenzoate
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| Structure |
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| Formula |
C24H21N3O4S
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| Molecular Weight |
447.516
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| Canonical SMILES |
COC(=O)c1ccc(Sc2ccccc2-c2cn(nn2)-c2cccc(OC)c2OC)cc1
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| InChI |
InChI=1S/C24H21N3O4S/c1-29-21-9-6-8-20(23(21)30-2)27-15-19(25-26-27)18-7-4-5-10-22(18)32-17-13-11-16(12-14-17)24(28)31-3/h4-15H,1-3H3
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| InChIKey |
FAYZFEOUBVBFCF-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