General Information of the Compound
| Compound ID |
CP0515981
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| Compound Name |
3-[2-(cyclopropylmethylamino)-5-methylsulfonylphenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
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| Structure |
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| Formula |
C19H21N3O3S
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| Molecular Weight |
371.462
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| Canonical SMILES |
Cn1cc(-c2cc(ccc2NCC2CC2)S(C)(=O)=O)c2cc[nH]c(=O)c12
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| InChI |
InChI=1S/C19H21N3O3S/c1-22-11-16(14-7-8-20-19(23)18(14)22)15-9-13(26(2,24)25)5-6-17(15)21-10-12-3-4-12/h5-9,11-12,21H,3-4,10H2,1-2H3,(H,20,23)
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| InChIKey |
HDWQJMGEVDTGEP-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 = 140 nM
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