General Information of the Compound
| Compound ID |
CP0547899
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| Compound Name |
2-[(2-bromo-2,2-difluoroacetyl)amino]-N-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C18H16BrF3N2O2S
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| Molecular Weight |
461.303
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| Canonical SMILES |
Fc1ccc(NC(=O)c2c(NC(=O)C(F)(F)Br)sc3CCCCCc23)cc1
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| InChI |
InChI=1S/C18H16BrF3N2O2S/c19-18(21,22)17(26)24-16-14(12-4-2-1-3-5-13(12)27-16)15(25)23-11-8-6-10(20)7-9-11/h6-9H,1-5H2,(H,23,25)(H,24,26)
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| InChIKey |
STQKKBMRFFZEIF-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