General Information of the Compound
| Compound ID |
CP0576232
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| Compound Name |
4-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)thiophene-3-carboxylic acid
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| Structure |
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| Formula |
C20H14ClNO5S
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| Molecular Weight |
415.854
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| Canonical SMILES |
OC(=O)c1c(NC(=O)c2cccc3OCCOc23)scc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H14ClNO5S/c21-12-6-4-11(5-7-12)14-10-28-19(16(14)20(24)25)22-18(23)13-2-1-3-15-17(13)27-9-8-26-15/h1-7,10H,8-9H2,(H,22,23)(H,24,25)
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| InChIKey |
YWSCETLDZOGMMP-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