General Information of the Compound
| Compound ID |
CP0517645
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| Compound Name |
3-[[4-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoic acid
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| Structure |
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| Formula |
C19H20N4O3S2
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| Molecular Weight |
416.528
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| Canonical SMILES |
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc(c2)C(O)=O)n1
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| InChI |
InChI=1S/C19H20N4O3S2/c1-10-14(28-18(20-10)23-16(26)19(2,3)4)13-9-27-17(22-13)21-12-7-5-6-11(8-12)15(24)25/h5-9H,1-4H3,(H,21,22)(H,24,25)(H,20,23,26)
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| InChIKey |
DBGTUHVUTOSJOJ-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