General Information of the Compound
| Compound ID |
CP0567741
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| Compound Name |
4-[5-[(2-hydroxyphenyl)methylcarbamoyl]thiophen-2-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C21H16N2O3S2
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| Molecular Weight |
408.504
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| Canonical SMILES |
NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccccc1O
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| InChI |
InChI=1S/C21H16N2O3S2/c22-20(25)19-10-14-13(5-3-7-16(14)28-19)17-8-9-18(27-17)21(26)23-11-12-4-1-2-6-15(12)24/h1-10,24H,11H2,(H2,22,25)(H,23,26)
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| InChIKey |
BUMZHZANOYKXNE-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