General Information of the Compound
| Compound ID |
CP0559370
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[3-(hydroxymethyl)azepan-1-yl]sulfonylbenzamide
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| Structure |
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| Formula |
C20H21ClF2N2O4S
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| Molecular Weight |
458.914
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| Canonical SMILES |
OCC1CCCCN(C1)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C20H21ClF2N2O4S/c21-16-10-15(5-7-17(16)22)24-20(27)14-4-6-18(23)19(9-14)30(28,29)25-8-2-1-3-13(11-25)12-26/h4-7,9-10,13,26H,1-3,8,11-12H2,(H,24,27)
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| InChIKey |
YNKRPBDLTABRMP-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