General Information of the Compound
| Compound ID |
CP0785403
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| Compound Name |
N-{5-[3-(1,1-dioxido-2-isothiazolidinyl)phenyl]-2,3-dihydro-1H-inden-2-yl}-2-propanesulfonamide
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| Structure |
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| Formula |
C22H28N2O4S2
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| Molecular Weight |
448.61
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| Canonical SMILES |
CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(CN4CCCS4(=O)=O)c3)cc2C1
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| InChI |
InChI=1S/C22H28N2O4S2/c1-16(2)30(27,28)23-22-13-20-8-7-19(12-21(20)14-22)18-6-3-5-17(11-18)15-24-9-4-10-29(24,25)26/h3,5-8,11-12,16,22-23H,4,9-10,13-15H2,1-2H3
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| InChIKey |
QFISGDWUAHNUKJ-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