General Information of the Compound
| Compound ID |
CP0413028
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| Compound Name |
1,3-dipropyl-8-[1-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]pyrazol-4-yl]-7H-purine-2,6-dione
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| Structure |
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| Formula |
C24H23F3N6O2
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| Molecular Weight |
484.482
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C24H23F3N6O2/c1-3-10-32-21-19(22(34)33(11-4-2)23(32)35)29-20(30-21)17-14-28-31(15-17)12-6-8-16-7-5-9-18(13-16)24(25,26)27/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,29,30)
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| InChIKey |
IQACUXWJFWEUSG-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