General Information of the Compound
| Compound ID |
CP0448218
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| Compound Name |
2-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C17H13N3O4S
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| Molecular Weight |
355.375
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| Canonical SMILES |
OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
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| InChI |
InChI=1S/C17H13N3O4S/c21-14(22)10-24-13-8-6-12(7-9-13)16(23)19-17-18-15(20-25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,18,19,20,23)
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| InChIKey |
JZAHMVTXFHMSNE-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