General Information of the Compound
| Compound ID |
CP0056152
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| Compound Name |
2,2'-methylenebis(4-chlorophenol)
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| Structure |
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| Formula |
C13H10Cl2O2
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| Molecular Weight |
269.127
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| Canonical SMILES |
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
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| InChI |
InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
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| InChIKey |
MDNWOSOZYLHTCG-UHFFFAOYSA-N
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| CAS |
97-23-4
1322-43-6
8017-86-5
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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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03795, Solute carrier family 22 member 1