General Information of the Compound
| Compound ID |
CP0967555
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| Compound Name |
(R,E)-1-(3-(4-Amino-3-(4-styrylphenyl)-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 |
C27H26N6O
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| Molecular Weight |
450.546
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(/C=C/c4ccccc4)cc3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C27H26N6O/c1-2-23(34)32-16-6-9-22(17-32)33-27-24(26(28)29-18-30-27)25(31-33)21-14-12-20(13-15-21)11-10-19-7-4-3-5-8-19/h2-5,7-8,10-15,18,22H,1,6,9,16-17H2,(H2,28,29,30)/b11-10+/t22-/m1/s1
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| InChIKey |
CHNUHSDJMZREJD-NELJVSICSA-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