General Information of the Compound
| Compound ID |
CP0556346
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(6-hydroxy-1,4-oxazepan-4-yl)sulfonyl]benzamide
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| Structure |
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| Formula |
C18H17ClF2N2O5S
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| Molecular Weight |
446.859
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| Canonical SMILES |
OC1COCCN(C1)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C18H17ClF2N2O5S/c19-14-8-12(2-4-15(14)20)22-18(25)11-1-3-16(21)17(7-11)29(26,27)23-5-6-28-10-13(24)9-23/h1-4,7-8,13,24H,5-6,9-10H2,(H,22,25)
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| InChIKey |
CHNIIKPXQZWJGE-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