General Information of the Compound
| Compound ID |
CP0573777
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| Compound Name |
4-tert-butyl-N-[7-chloro-1,3-dioxo-2-(2-pyridin-3-ylethyl)isoindol-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H24ClN3O4S
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| Molecular Weight |
498.004
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(CCc3cccnc3)C(=O)c12
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| InChI |
InChI=1S/C25H24ClN3O4S/c1-25(2,3)17-6-8-18(9-7-17)34(32,33)28-20-11-10-19(26)21-22(20)24(31)29(23(21)30)14-12-16-5-4-13-27-15-16/h4-11,13,15,28H,12,14H2,1-3H3
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| InChIKey |
GFSNBOJIVAEWJJ-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