General Information of the Compound
| Compound ID |
CP0575440
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| Compound Name |
1-[4-[(4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C19H21N3O3S
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| Molecular Weight |
371.462
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| Canonical SMILES |
CN1CCN(c2ccccc12)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
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| InChI |
InChI=1S/C19H21N3O3S/c1-20-13-14-22(18-6-3-2-5-17(18)20)26(24,25)16-10-8-15(9-11-16)21-12-4-7-19(21)23/h2-3,5-6,8-11H,4,7,12-14H2,1H3
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| InChIKey |
HKMFKYDGIJGBER-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
Protein ID: PT03225, Cellular tumor antigen p53
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 10 nM
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