General Information of the Compound
| Compound ID |
CP0148528
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| Compound Name |
8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one
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| Structure |
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| Formula |
C19H19N3O
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| Molecular Weight |
305.381
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| Canonical SMILES |
Cn1cc2-c3ccccc3N(CC3CC3)Cc3c[nH]c(=O)c1c23
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| InChI |
InChI=1S/C19H19N3O/c1-21-11-15-14-4-2-3-5-16(14)22(9-12-6-7-12)10-13-8-20-19(23)18(21)17(13)15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,23)
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| InChIKey |
IYFBWGHWDOGHMR-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 = 57 nM
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