General Information of the Compound
| Compound ID |
CP0534984
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| Compound Name |
3-[4-[2-(2,4-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)c1cccc(c1)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C19H18Cl2N2O4/c20-14-4-5-17(16(21)11-14)27-12-18(24)23-8-6-22(7-9-23)15-3-1-2-13(10-15)19(25)26/h1-5,10-11H,6-9,12H2,(H,25,26)
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| InChIKey |
PEOMBZOZISPVLN-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