General Information of the Compound
| Compound ID |
CP0532757
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| Compound Name |
2-[4-[[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]amino]phenoxy]acetic acid
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| Structure |
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| Formula |
C18H14N4O5S
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| Molecular Weight |
398.4
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| Canonical SMILES |
OC(=O)COc1ccc(NC(=O)c2nnc(s2)C(=O)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C18H14N4O5S/c23-14(24)10-27-13-8-6-12(7-9-13)20-16(26)18-22-21-17(28-18)15(25)19-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,25)(H,20,26)(H,23,24)
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| InChIKey |
KSJMETZXIKZVRQ-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