General Information of the Compound
| Compound ID |
CP0576044
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| Compound Name |
4-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylic acid
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| Structure |
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| Formula |
C22H14ClNO3S
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| Molecular Weight |
407.878
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| Canonical SMILES |
OC(=O)c1c(NC(=O)c2cccc3ccccc23)scc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H14ClNO3S/c23-15-10-8-14(9-11-15)18-12-28-21(19(18)22(26)27)24-20(25)17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,24,25)(H,26,27)
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| InChIKey |
OCADUBNQOZHYJY-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