General Information of the Compound
| Compound ID |
CP0340839
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| Compound Name |
2-{3-[5-(5-hydroxypyridin-2-yl)-1,3-thiazol-2-yl]propanamido}benzoic acid
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| Structure |
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| Formula |
C18H15N3O4S
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| Molecular Weight |
369.402
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| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)CCc1ncc(s1)-c1ccc(O)cn1
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| InChI |
InChI=1S/C18H15N3O4S/c22-11-5-6-14(19-9-11)15-10-20-17(26-15)8-7-16(23)21-13-4-2-1-3-12(13)18(24)25/h1-6,9-10,22H,7-8H2,(H,21,23)(H,24,25)
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| InChIKey |
OEBJSJTWLHQHSH-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