General Information of the Compound
| Compound ID |
CP0967545
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| Compound Name |
(R)-3-(4-Phenoxyphenyl)-1-(1-(propylsulfonyl)piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C25H28N6O3S
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| Molecular Weight |
492.605
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C25H28N6O3S/c1-2-15-35(32,33)30-14-6-7-19(16-30)31-25-22(24(26)27-17-28-25)23(29-31)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h3-5,8-13,17,19H,2,6-7,14-16H2,1H3,(H2,26,27,28)/t19-/m1/s1
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| InChIKey |
PFOJTWYKHXUHOF-LJQANCHMSA-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