General Information of the Compound
| Compound ID |
CP0536108
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| Compound Name |
N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxybenzamide
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| Structure |
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| Formula |
C24H24N2O3
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| Molecular Weight |
388.467
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| Canonical SMILES |
CCNC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O
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| InChI |
InChI=1S/C24H24N2O3/c1-3-25-24(28)16-12-13-21(29-17-8-5-4-6-9-17)19(14-16)23-18-10-7-11-20(27)22(18)15(2)26-23/h4-6,8-9,12-14,26H,3,7,10-11H2,1-2H3,(H,25,28)
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| InChIKey |
UYVKPTPDSHKJCN-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 = 1400 nM
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TI
LI
LO
TS
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