General Information of the Compound
| Compound ID |
CP0469572
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| Compound Name |
N-(4-ethylphenyl)-4-[(4-fluorooxan-4-yl)methylamino]-N-(2-methylpropyl)-3-(methylsulfonimidoyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H36FN3O4S2
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| Molecular Weight |
525.712
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(NCC2(F)CCOCC2)c(c1)S(C)(=N)=O
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| InChI |
InChI=1S/C25H36FN3O4S2/c1-5-20-6-8-21(9-7-20)29(17-19(2)3)35(31,32)22-10-11-23(24(16-22)34(4,27)30)28-18-25(26)12-14-33-15-13-25/h6-11,16,19,27-28H,5,12-15,17-18H2,1-4H3
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| InChIKey |
JNAZOKSYVYKRHZ-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