General Information of the Compound
| Compound ID |
CP0475702
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| Compound Name |
3-[4-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C20H19N3O5S
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| Molecular Weight |
413.455
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| Canonical SMILES |
COc1ccc(NC(=O)c2nnc(COc3ccc(CCC(O)=O)cc3)s2)cc1
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| InChI |
InChI=1S/C20H19N3O5S/c1-27-15-9-5-14(6-10-15)21-19(26)20-23-22-17(29-20)12-28-16-7-2-13(3-8-16)4-11-18(24)25/h2-3,5-10H,4,11-12H2,1H3,(H,21,26)(H,24,25)
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| InChIKey |
PXMGNYZJDCMNED-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