General Information of the Compound
| Compound ID |
CP0571581
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| Compound Name |
N-[3-(5-methyl-4-oxo-3,6-dihydropyrrolo[3,4-d]pyrimidin-7-yl)-4-phenoxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C20H18N4O4S
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| Molecular Weight |
410.455
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| Canonical SMILES |
Cc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2nc[nH]c(=O)c12
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| InChI |
InChI=1S/C20H18N4O4S/c1-12-17-19(21-11-22-20(17)25)18(23-12)15-10-13(24-29(2,26)27)8-9-16(15)28-14-6-4-3-5-7-14/h3-11,23-24H,1-2H3,(H,21,22,25)
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| InChIKey |
JFLBWMRPEABFBV-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: PT01462, Bromodomain-containing protein 4
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000183 | MX-1 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 460 nM
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