General Information of the Compound
| Compound ID |
CP0539293
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| Compound Name |
1,3-dipropyl-8-[3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynoxy]-1,2-oxazol-5-yl]-7H-purine-2,6-dione
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| Structure |
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| Formula |
C24H22F3N5O4
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| Molecular Weight |
501.465
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC#Cc2cccc(c2)C(F)(F)F)no1
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| InChI |
InChI=1S/C24H22F3N5O4/c1-3-10-31-21-19(22(33)32(11-4-2)23(31)34)28-20(29-21)17-14-18(30-36-17)35-12-6-8-15-7-5-9-16(13-15)24(25,26)27/h5,7,9,13-14H,3-4,10-12H2,1-2H3,(H,28,29)
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| InChIKey |
CNRBQJWUBSIUAD-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