General Information of the Compound
| Compound ID |
CP0356954
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| Compound Name |
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-phenylmorpholin-4-yl)quinazolin-2-yl]pyrazol-1-yl]ethanol
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| Structure |
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| Formula |
C28H28N6O3
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| Molecular Weight |
496.571
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc2nc(nc(N3CCOCC3c3ccccc3)c2c1)-c1cnn(CCO)c1
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| InChI |
InChI=1S/C28H28N6O3/c1-18-26(19(2)37-32-18)21-8-9-24-23(14-21)28(31-27(30-24)22-15-29-33(16-22)10-12-35)34-11-13-36-17-25(34)20-6-4-3-5-7-20/h3-9,14-16,25,35H,10-13,17H2,1-2H3
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| InChIKey |
XGGMHAKFCUIDSF-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 | |
| CL000091 | MV4-11 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1100 nM
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