General Information of the Compound
| Compound ID |
CP0558100
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| Compound Name |
2-[4-[[5-[(2,3-dimethylphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl]amino]phenoxy]acetic acid
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| Structure |
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| Formula |
C20H18N4O5S
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| Molecular Weight |
426.454
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| Canonical SMILES |
Cc1cccc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)c1C
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| InChI |
InChI=1S/C20H18N4O5S/c1-11-4-3-5-15(12(11)2)22-18(28)20-24-23-19(30-20)17(27)21-13-6-8-14(9-7-13)29-10-16(25)26/h3-9H,10H2,1-2H3,(H,21,27)(H,22,28)(H,25,26)
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| InChIKey |
ZYWNBFYZYUNTFV-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