General Information of the Compound
| Compound ID |
CP0549741
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| Compound Name |
2-[4-[2-(3,5-dichlorophenoxy)acetyl]piperazin-1-yl]benzoic acid
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| Structure |
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| Formula |
C19H18Cl2N2O4
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| Molecular Weight |
409.269
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| Canonical SMILES |
OC(=O)c1ccccc1N1CCN(CC1)C(=O)COc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C19H18Cl2N2O4/c20-13-9-14(21)11-15(10-13)27-12-18(24)23-7-5-22(6-8-23)17-4-2-1-3-16(17)19(25)26/h1-4,9-11H,5-8,12H2,(H,25,26)
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| InChIKey |
AMSIQQLYBZWNQB-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