General Information of the Compound
| Compound ID |
CP0072566
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| Compound Name |
3-methyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydro-4H-isoindol-4-one
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| Structure |
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| Formula |
C21H19NO2
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| Molecular Weight |
317.388
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| Canonical SMILES |
Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1Oc1ccccc1
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| InChI |
InChI=1S/C21H19NO2/c1-14-20-17(11-7-12-18(20)23)21(22-14)16-10-5-6-13-19(16)24-15-8-3-2-4-9-15/h2-6,8-10,13,22H,7,11-12H2,1H3
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| InChIKey |
KLYIVVNLQIHWNI-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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