General Information of the Compound
| Compound ID |
CP0390915
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| Compound Name |
4-Bromo-N-[3-cyano-6-(1,1-dimethyl-propyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-benzamide
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| Structure |
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| Formula |
C21H23BrN2OS
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| Molecular Weight |
431.399
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| Canonical SMILES |
CCC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccc(Br)cc1)c2C#N
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| InChI |
InChI=1S/C21H23BrN2OS/c1-4-21(2,3)14-7-10-16-17(12-23)20(26-18(16)11-14)24-19(25)13-5-8-15(22)9-6-13/h5-6,8-9,14H,4,7,10-11H2,1-3H3,(H,24,25)
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| InChIKey |
GINRSMLGSRKRLT-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