General Information of the Compound
| Compound ID |
CP0114394
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| Compound Name |
1-ethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl]ethynyl]pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C25H17F3N6
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| Molecular Weight |
458.447
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| Canonical SMILES |
CCn1nc(C#Cc2cccc3cc(ncc23)-c2cccc(c2)C(F)(F)F)c2c(N)ncnc12
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| InChI |
InChI=1S/C25H17F3N6/c1-2-34-24-22(23(29)31-14-32-24)20(33-34)10-9-15-5-3-6-16-12-21(30-13-19(15)16)17-7-4-8-18(11-17)25(26,27)28/h3-8,11-14H,2H2,1H3,(H2,29,31,32)
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| InChIKey |
CLVFHIUJCJCESW-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