General Information of the Compound
| Compound ID |
CP0207268
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-3-[(3S,6R)-3,6-dihydroxyazepan-1-yl]sulfonyl-4-fluorobenzamide
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| Structure |
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| Formula |
C19H19ClF2N2O5S
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| Molecular Weight |
460.886
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| Canonical SMILES |
O[C@H]1CC[C@@H](O)CN(C1)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C19H19ClF2N2O5S/c20-15-8-12(2-6-16(15)21)23-19(27)11-1-5-17(22)18(7-11)30(28,29)24-9-13(25)3-4-14(26)10-24/h1-2,5-8,13-14,25-26H,3-4,9-10H2,(H,23,27)/t13-,14+
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| InChIKey |
HOSYNOKQENUKRP-OKILXGFUSA-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