General Information of the Compound
| Compound ID |
CP0477806
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| Compound Name |
3-[4-[[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carbonyl]amino]phenyl]propanoic acid
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| Structure |
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| Formula |
C21H21N3O4S
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| Molecular Weight |
411.483
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| Canonical SMILES |
Cc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(CCC(O)=O)cc2)c(C)c1
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| InChI |
InChI=1S/C21H21N3O4S/c1-13-3-9-17(14(2)11-13)28-12-18-23-24-21(29-18)20(27)22-16-7-4-15(5-8-16)6-10-19(25)26/h3-5,7-9,11H,6,10,12H2,1-2H3,(H,22,27)(H,25,26)
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| InChIKey |
IRHRGOXWUAKECK-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