General Information of the Compound
| Compound ID |
CP0265296
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| Compound Name |
US9296741, 19
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| Structure |
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| Formula |
C21H17N3O3
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| Molecular Weight |
359.385
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| Canonical SMILES |
Cn1cc(-c2cc(ccc2Oc2ccccc2)C(N)=O)c2cc[nH]c2c1=O
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| InChI |
InChI=1S/C21H17N3O3/c1-24-12-17(15-9-10-23-19(15)21(24)26)16-11-13(20(22)25)7-8-18(16)27-14-5-3-2-4-6-14/h2-12,23H,1H3,(H2,22,25)
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| InChIKey |
CSZKWGRFCCGFSN-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 = 120 nM
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