General Information of the Compound
| Compound ID |
CP0219122
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| Compound Name |
12-methyl-4-(methylsulfonylmethyl)-8-pyridin-2-yl-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-14-one
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| Structure |
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| Formula |
C22H20N4O3S
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| Molecular Weight |
420.494
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| Canonical SMILES |
Cn1cc2CN(c3ccccn3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23
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| InChI |
InChI=1S/C22H20N4O3S/c1-25-11-15-12-26(19-5-3-4-8-23-19)18-7-6-14(13-30(2,28)29)9-16(18)17-10-24-22(27)21(25)20(15)17/h3-11H,12-13H2,1-2H3,(H,24,27)
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| InChIKey |
AUJSICQRNVBQDS-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 = 5.5 nM
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TI
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LO
TS
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