General Information of the Compound
| Compound ID |
CP0492293
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| Compound Name |
(3R)-N-(3-bromophenyl)-5-oxo-1,4-thiazepane-3-carboxamide
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| Structure |
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| Formula |
C12H13BrN2O2S
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| Molecular Weight |
329.219
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| Canonical SMILES |
Brc1cccc(NC(=O)[C@@H]2CSCCC(=O)N2)c1
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| InChI |
InChI=1S/C12H13BrN2O2S/c13-8-2-1-3-9(6-8)14-12(17)10-7-18-5-4-11(16)15-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H,15,16)/t10-/m0/s1
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| InChIKey |
VMAJERDVFCRXCW-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