General Information of the Compound
| Compound ID |
CP0518122
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| Compound Name |
3-(cyanomethyl)-N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
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| Structure |
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| Formula |
C26H34N2O4S
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| Molecular Weight |
470.635
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(CC#N)c1
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| InChI |
InChI=1S/C26H34N2O4S/c1-4-21-5-7-24(8-6-21)28(18-20(2)3)33(29,30)25-9-10-26(23(17-25)11-14-27)32-19-22-12-15-31-16-13-22/h5-10,17,20,22H,4,11-13,15-16,18-19H2,1-3H3
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| InChIKey |
VWZVYFAWYBBEQY-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