General Information of the Compound
| Compound ID |
CP0419147
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| Compound Name |
(R)-1-(dimethylamino)-4-(3-(2,6-dimethylphenylamino)-6-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butan-2-ol
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| Structure |
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| Formula |
C25H31N7O
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| Molecular Weight |
445.571
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| Canonical SMILES |
CN(C)C[C@H](O)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C25H31N7O/c1-17-9-8-10-18(2)22(17)28-23-21-15-26-25(27-19-11-6-5-7-12-19)29-24(21)32(30-23)14-13-20(33)16-31(3)4/h5-12,15,20,33H,13-14,16H2,1-4H3,(H,28,30)(H,26,27,29)/t20-/m1/s1
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| InChIKey |
ZRXMKJFVIWFILQ-HXUWFJFHSA-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