General Information of the Compound
| Compound ID |
CP0550092
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| Compound Name |
4-[5-[(4-aminophenyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C21H17N3O2S2
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| Molecular Weight |
407.52
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| Canonical SMILES |
NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccc(N)cc1
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| InChI |
InChI=1S/C21H17N3O2S2/c22-13-6-4-12(5-7-13)11-24-21(26)18-9-8-17(27-18)14-2-1-3-16-15(14)10-19(28-16)20(23)25/h1-10H,11,22H2,(H2,23,25)(H,24,26)
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| InChIKey |
FKBYKVYDELTMBK-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