General Information of the Compound
| Compound ID |
CP0552822
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| Compound Name |
N-(4-ethylphenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-3-oxo-1H-isoindole-5-sulfonamide
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| Structure |
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| Formula |
C25H32N2O4S
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| Molecular Weight |
456.608
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2CN(C3CCOCC3)C(=O)c2c1
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| InChI |
InChI=1S/C25H32N2O4S/c1-4-19-5-8-22(9-6-19)27(16-18(2)3)32(29,30)23-10-7-20-17-26(25(28)24(20)15-23)21-11-13-31-14-12-21/h5-10,15,18,21H,4,11-14,16-17H2,1-3H3
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| InChIKey |
WEAJBHADGPXYTO-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