General Information of the Compound
| Compound ID |
CP0901561
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| Compound Name |
(R)-1-(3-(4-Amino-3-(4-(benzyloxy)phenyl)-1H-pyrazolo[3,4-d]-pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H26N6O2
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| Molecular Weight |
454.534
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4ccccc4)cc3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C26H26N6O2/c1-2-22(33)31-14-6-9-20(15-31)32-26-23(25(27)28-17-29-26)24(30-32)19-10-12-21(13-11-19)34-16-18-7-4-3-5-8-18/h2-5,7-8,10-13,17,20H,1,6,9,14-16H2,(H2,27,28,29)/t20-/m1/s1
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| InChIKey |
PFKBFIRSOSQBAI-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