General Information of the Compound
| Compound ID |
CP0448662
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| Compound Name |
1,3-dipropyl-8-[1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-ynyl]pyrazol-4-yl]-7H-purine-2,6-dione
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| Structure |
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| Formula |
C29H33F3N8O2
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| Molecular Weight |
582.631
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C29H33F3N8O2/c1-3-10-39-26-24(27(41)40(11-4-2)28(39)42)34-25(35-26)21-19-33-38(20-21)13-6-5-12-36-14-16-37(17-15-36)23-9-7-8-22(18-23)29(30,31)32/h7-9,18-20H,3-4,10-17H2,1-2H3,(H,34,35)
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| InChIKey |
SNEQMPUULBLPIM-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