General Information of the Compound
| Compound ID |
CP0563640
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| Compound Name |
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-cyanobenzoic acid
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| Structure |
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| Formula |
C16H11ClN2O4
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| Molecular Weight |
330.727
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| Canonical SMILES |
OC(=O)c1ccc(cc1NC(=O)COc1ccccc1Cl)C#N
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| InChI |
InChI=1S/C16H11ClN2O4/c17-12-3-1-2-4-14(12)23-9-15(20)19-13-7-10(8-18)5-6-11(13)16(21)22/h1-7H,9H2,(H,19,20)(H,21,22)
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| InChIKey |
WJLVYUKIYBBAIL-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