General Information of the Compound
| Compound ID |
CP0395454
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| Compound Name |
ethyl 3-phenyl-2-[9-[4-(trifluoromethoxy)phenyl]-4,5-dihydropurin-6-yl]propanoate
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| Structure |
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| Formula |
C23H21F3N4O3
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| Molecular Weight |
458.44
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| Canonical SMILES |
CCOC(=O)C(Cc1ccccc1)C1=NC=NC2C1N=CN2c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C23H21F3N4O3/c1-2-32-22(31)18(12-15-6-4-3-5-7-15)19-20-21(28-13-27-19)30(14-29-20)16-8-10-17(11-9-16)33-23(24,25)26/h3-11,13-14,18,20-21H,2,12H2,1H3
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| InChIKey |
RHYIQRLLDJSZDP-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