General Information of the Compound
| Compound ID |
CP0566098
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| Compound Name |
1-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3-methyl-2,5,6,7-tetrahydroisoindol-4-one
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| Structure |
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| Formula |
C22H19F2NO4S
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| Molecular Weight |
431.46
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| Canonical SMILES |
Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H19F2NO4S/c1-12-21-15(4-3-5-18(21)26)22(25-12)16-11-14(30(2,27)28)7-9-19(16)29-20-8-6-13(23)10-17(20)24/h6-11,25H,3-5H2,1-2H3
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| InChIKey |
RFRKNJZNTDDXFX-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 = 570 nM
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TI
LI
LO
TS
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