General Information of the Compound
| Compound ID |
CP0308317
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| Compound Name |
3-methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one
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| Structure |
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| Formula |
C20H16N2O2
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| Molecular Weight |
316.36
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| Canonical SMILES |
Cc1[nH]c(-c2ccccc2Oc2ccccc2)c2cc[nH]c(=O)c12
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| InChI |
InChI=1S/C20H16N2O2/c1-13-18-16(11-12-21-20(18)23)19(22-13)15-9-5-6-10-17(15)24-14-7-3-2-4-8-14/h2-12,22H,1H3,(H,21,23)
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| InChIKey |
ZVBYYZLLHHAMEC-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 = 220 nM
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