General Information of the Compound
| Compound ID |
CP0320208
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| Compound Name |
15-methyl-4-(methylsulfonylmethyl)-8-propanoyl-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaen-14-one
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| Structure |
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| Formula |
C20H21N3O4S
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| Molecular Weight |
399.472
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| Canonical SMILES |
CCC(=O)N1Cc2c[nH]c3c2c(cn(C)c3=O)-c2cc(CS(C)(=O)=O)ccc12
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| InChI |
InChI=1S/C20H21N3O4S/c1-4-17(24)23-9-13-8-21-19-18(13)15(10-22(2)20(19)25)14-7-12(5-6-16(14)23)11-28(3,26)27/h5-8,10,21H,4,9,11H2,1-3H3
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| InChIKey |
FGAVOAHYTZAMJG-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 = 4.7 nM
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TI
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