General Information of the Compound
| Compound ID |
CP0564094
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| Compound Name |
(3R)-N-(3-bromo-5-fluorophenyl)-5-oxo-1,4-thiazepane-3-carboxamide
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| Formula |
C12H12BrFN2O2S
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| Molecular Weight |
347.209
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| Canonical SMILES |
Fc1cc(Br)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1
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| InChI |
InChI=1S/C12H12BrFN2O2S/c13-7-3-8(14)5-9(4-7)15-12(18)10-6-19-2-1-11(17)16-10/h3-5,10H,1-2,6H2,(H,15,18)(H,16,17)/t10-/m0/s1
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| InChIKey |
UCCZGHDSEMFTLK-JTQLQIEISA-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