General Information of the Compound
| Compound ID |
CP0440695
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| Compound Name |
3-[(2,4-dichlorophenyl)sulfanylmethyl]benzoic acid
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| Structure |
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| Formula |
C14H10Cl2O2S
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| Molecular Weight |
313.205
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| Canonical SMILES |
OC(=O)c1cccc(CSc2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C14H10Cl2O2S/c15-11-4-5-13(12(16)7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18)
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| InChIKey |
IVIUREYWLIBJBY-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