General Information of the Compound
| Compound ID |
CP0368126
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| Compound Name |
3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-phenylthiophen-2-yl]phenol
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| Structure |
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| Formula |
C22H14Cl2O2S
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| Molecular Weight |
413.325
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| Canonical SMILES |
Oc1ccc(-c2cc(c(s2)-c2ccc(O)cc2Cl)-c2ccccc2)c(Cl)c1
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| InChI |
InChI=1S/C22H14Cl2O2S/c23-19-10-14(25)6-8-16(19)21-12-18(13-4-2-1-3-5-13)22(27-21)17-9-7-15(26)11-20(17)24/h1-12,25-26H
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| InChIKey |
POLKCEIJBMMAFV-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