General Information of the Compound
| Compound ID |
CP0545022
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| Compound Name |
2-amino-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzoic acid
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| Structure |
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| Formula |
C19H13NO4S
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| Molecular Weight |
351.383
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| Canonical SMILES |
Nc1cc(ccc1C(O)=O)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C19H13NO4S/c20-15-8-11(2-4-14(15)18(21)22)17-6-5-16(25-17)10-1-3-13-12(7-10)9-24-19(13)23/h1-8H,9,20H2,(H,21,22)
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| InChIKey |
HEQOOWUEOBULGD-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