General Information of the Compound
| Compound ID |
CP0437900
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| Compound Name |
methyl 4-[2-[1-(2-fluoro-6-methoxyphenyl)triazol-4-yl]phenyl]sulfanylbenzoate
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| Structure |
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| Formula |
C23H18FN3O3S
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| Molecular Weight |
435.48
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| Canonical SMILES |
COC(=O)c1ccc(Sc2ccccc2-c2cn(nn2)-c2c(F)cccc2OC)cc1
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| InChI |
InChI=1S/C23H18FN3O3S/c1-29-20-8-5-7-18(24)22(20)27-14-19(25-26-27)17-6-3-4-9-21(17)31-16-12-10-15(11-13-16)23(28)30-2/h3-14H,1-2H3
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| InChIKey |
VTPKEXINBHMBNH-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