General Information of the Compound
| Compound ID |
CP0520841
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| Compound Name |
3-{3-Cyano-6-(2-hydroxyphenyl)-2-[(thiophen-2-ylcarbonyl)amino]pyridin-4-yl}benzoic acid
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| Structure |
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| Formula |
C24H15N3O4S
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| Molecular Weight |
441.468
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| Canonical SMILES |
OC(=O)c1cccc(c1)-c1cc(nc(NC(=O)c2cccs2)c1C#N)-c1ccccc1O
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| InChI |
InChI=1S/C24H15N3O4S/c25-13-18-17(14-5-3-6-15(11-14)24(30)31)12-19(16-7-1-2-8-20(16)28)26-22(18)27-23(29)21-9-4-10-32-21/h1-12,28H,(H,30,31)(H,26,27,29)
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| InChIKey |
RKYNKGUMMZZWOC-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