General Information of the Compound
| Compound ID |
CP0415823
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| Compound Name |
3-[4-[[5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carbonyl]amino]phenyl]propanoic acid
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| Structure |
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| Formula |
C20H19N3O4S
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| Molecular Weight |
397.456
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| Canonical SMILES |
Cc1ccccc1OCc1nnc(s1)C(=O)Nc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C20H19N3O4S/c1-13-4-2-3-5-16(13)27-12-17-22-23-20(28-17)19(26)21-15-9-6-14(7-10-15)8-11-18(24)25/h2-7,9-10H,8,11-12H2,1H3,(H,21,26)(H,24,25)
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| InChIKey |
HWRZHJPWXRIUBR-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