General Information of the Compound
| Compound ID |
CP0198210
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| Compound Name |
US9296741, 29
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| Structure |
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| Formula |
C20H23N3O5S
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| Molecular Weight |
417.487
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| Canonical SMILES |
Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)c2cc[nH]c2c1=O
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| InChI |
InChI=1S/C20H23N3O5S/c1-23-12-17(15-5-8-21-19(15)20(23)24)16-11-13(22-29(2,25)26)3-4-18(16)28-14-6-9-27-10-7-14/h3-5,8,11-12,14,21-22H,6-7,9-10H2,1-2H3
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| InChIKey |
OECWOMUGQVHRAA-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 = 72 nM
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TI
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LO
TS
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