General Information of the Compound
| Compound ID |
CP0495765
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| Compound Name |
3-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]benzoic acid
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| Structure |
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| Formula |
C19H19ClN2O4
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| Molecular Weight |
374.824
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| Canonical SMILES |
OC(=O)c1cccc(c1)N1CCN(CC1)C(=O)COc1cccc(Cl)c1
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| InChI |
InChI=1S/C19H19ClN2O4/c20-15-4-2-6-17(12-15)26-13-18(23)22-9-7-21(8-10-22)16-5-1-3-14(11-16)19(24)25/h1-6,11-12H,7-10,13H2,(H,24,25)
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| InChIKey |
CLDIGTNXYRCRFZ-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