General Information of the Compound
| Compound ID |
CP0229176
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| Compound Name |
2-{3-[2-(4-hydroxy-1H-pyrazol-1-yl)-1,3-thiazol-5-yl]propanamido}benzoic acid
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| Structure |
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| Formula |
C16H14N4O4S
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| Molecular Weight |
358.379
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| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)CCc1cnc(s1)-n1cc(O)cn1
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| InChI |
InChI=1S/C16H14N4O4S/c21-10-7-18-20(9-10)16-17-8-11(25-16)5-6-14(22)19-13-4-2-1-3-12(13)15(23)24/h1-4,7-9,21H,5-6H2,(H,19,22)(H,23,24)
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| InChIKey |
CBQCLKNVINQXIV-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