General Information of the Compound
| Compound ID |
CP0401117
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| Compound Name |
3-[4-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H17N3O4S
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| Molecular Weight |
383.429
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccccc2)cc1
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| InChI |
InChI=1S/C19H17N3O4S/c23-17(24)11-8-13-6-9-15(10-7-13)26-12-16-21-22-19(27-16)18(25)20-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,20,25)(H,23,24)
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| InChIKey |
DSDNLUBQLDRWIG-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