General Information of the Compound
| Compound ID |
CP0387912
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| Compound Name |
4-bromo-N-[(3,5-difluorophenyl)methyl]-6-(1,1-dioxothiazinan-2-yl)-3-methoxypyridine-2-carboxamide
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| Structure |
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| Formula |
C18H18BrF2N3O4S
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| Molecular Weight |
490.326
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| Canonical SMILES |
COc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
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| InChI |
InChI=1S/C18H18BrF2N3O4S/c1-28-17-14(19)9-15(24-4-2-3-5-29(24,26)27)23-16(17)18(25)22-10-11-6-12(20)8-13(21)7-11/h6-9H,2-5,10H2,1H3,(H,22,25)
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| InChIKey |
KJURTHYVQHGXOC-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