General Information of the Compound
| Compound ID |
CP0943642
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| Compound Name |
(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]-pyrimidin-1-yl)pyrrolidin-1-yl)-2-(dimethylamino)ethanone
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| Structure |
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| Formula |
C25H27N7O2
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| Molecular Weight |
457.538
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| Canonical SMILES |
CN(C)CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C25H27N7O2/c1-30(2)15-21(33)31-13-12-18(14-31)32-25-22(24(26)27-16-28-25)23(29-32)17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h3-11,16,18H,12-15H2,1-2H3,(H2,26,27,28)/t18-/m1/s1
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| InChIKey |
XWCXXHRMKAAUTE-GOSISDBHSA-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