General Information of the Compound
| Compound ID |
CP0429676
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| Compound Name |
3-[4-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carbonyl]amino]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(OCc2nnc(s2)C(=O)Nc2ccc(CCC(O)=O)cc2)cc1
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| InChI |
InChI=1S/C20H19N3O5S/c1-27-15-7-9-16(10-8-15)28-12-17-22-23-20(29-17)19(26)21-14-5-2-13(3-6-14)4-11-18(24)25/h2-3,5-10H,4,11-12H2,1H3,(H,21,26)(H,24,25)
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| InChIKey |
POHHFKRPPSFIDW-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