General Information of the Compound
| Compound ID |
CP0368125
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| Compound Name |
4-[4,5-bis(2-chloro-4-hydroxyphenyl)thiophen-2-yl]-3-chlorophenol
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| Structure |
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| Formula |
C22H13Cl3O3S
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| Molecular Weight |
463.769
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| Canonical SMILES |
Oc1ccc(-c2cc(c(s2)-c2ccc(O)cc2Cl)-c2ccc(O)cc2Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H13Cl3O3S/c23-18-7-11(26)1-4-14(18)17-10-21(15-5-2-12(27)8-19(15)24)29-22(17)16-6-3-13(28)9-20(16)25/h1-10,26-28H
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| InChIKey |
NYWJATRQCFDSTF-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