General Information of the Compound
| Compound ID |
CP0148527
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| Compound Name |
8-(cyclopropylmethyl)-15-methyl-4-methylsulfonyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10,14(17)-hexaen-13-one
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| Structure |
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| Formula |
C20H21N3O3S
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| Molecular Weight |
383.473
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| Canonical SMILES |
Cn1cc2-c3cc(ccc3N(CC3CC3)Cc3c[nH]c(=O)c1c23)S(C)(=O)=O
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| InChI |
InChI=1S/C20H21N3O3S/c1-22-11-16-15-7-14(27(2,25)26)5-6-17(15)23(9-12-3-4-12)10-13-8-21-20(24)19(22)18(13)16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,24)
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| InChIKey |
ZVFNMMIXUGMFCY-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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