General Information of the Compound
| Compound ID |
CP0456055
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| Compound Name |
2-[3-[4-(4-hydroxyphenyl)phenyl]propanoylamino]thiophene-3-carboxylic acid
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| Structure |
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| Formula |
C20H17NO4S
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| Molecular Weight |
367.426
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| Canonical SMILES |
OC(=O)c1ccsc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1
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| InChI |
InChI=1S/C20H17NO4S/c22-16-8-6-15(7-9-16)14-4-1-13(2-5-14)3-10-18(23)21-19-17(20(24)25)11-12-26-19/h1-2,4-9,11-12,22H,3,10H2,(H,21,23)(H,24,25)
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| InChIKey |
CSRAIWQUACQRNV-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