General Information of the Compound
| Compound ID |
CP0415819
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| Compound Name |
2-[4-[[5-[(4-ethoxycarbonylphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl]amino]phenoxy]acetic acid
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| Structure |
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| Formula |
C21H18N4O7S
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| Molecular Weight |
470.463
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)cc1
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| InChI |
InChI=1S/C21H18N4O7S/c1-2-31-21(30)12-3-5-13(6-4-12)22-17(28)19-24-25-20(33-19)18(29)23-14-7-9-15(10-8-14)32-11-16(26)27/h3-10H,2,11H2,1H3,(H,22,28)(H,23,29)(H,26,27)
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| InChIKey |
NXHMGNZPAPCSEW-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