General Information of the Compound
| Compound ID |
CP0429675
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| Compound Name |
3-[4-[[5-[(3-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carbonyl]amino]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H16ClN3O4S
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| Molecular Weight |
417.874
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| Canonical SMILES |
OC(=O)CCc1ccc(NC(=O)c2nnc(COc3cccc(Cl)c3)s2)cc1
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| InChI |
InChI=1S/C19H16ClN3O4S/c20-13-2-1-3-15(10-13)27-11-16-22-23-19(28-16)18(26)21-14-7-4-12(5-8-14)6-9-17(24)25/h1-5,7-8,10H,6,9,11H2,(H,21,26)(H,24,25)
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| InChIKey |
XQEKZLMCGBXLEU-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