General Information of the Compound
| Compound ID |
CP0154373
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| Compound Name |
4-[4-(4-Chloro-phenoxy)-phenyl]-4-oxo-butyric acid
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| Structure |
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| Formula |
C16H13ClO4
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| Molecular Weight |
304.729
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| Canonical SMILES |
OC(=O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C16H13ClO4/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)15(18)9-10-16(19)20/h1-8H,9-10H2,(H,19,20)
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| InChIKey |
RBSRTJKBLCCGPO-UHFFFAOYSA-N
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| CAS |
57148-29-5
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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