General Information of the Compound
| Compound ID |
CP0964900
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| Compound Name |
(S)-1-(3-(4-Amino-3-(3-chloro-4-((3-fluorobenzyl)oxy)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 |
C26H24ClFN6O2
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| Molecular Weight |
506.969
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| Canonical SMILES |
C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(OCc4cccc(F)c4)c(Cl)c3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C26H24ClFN6O2/c1-2-22(35)33-10-4-7-19(13-33)34-26-23(25(29)30-15-31-26)24(32-34)17-8-9-21(20(27)12-17)36-14-16-5-3-6-18(28)11-16/h2-3,5-6,8-9,11-12,15,19H,1,4,7,10,13-14H2,(H2,29,30,31)/t19-/m0/s1
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| InChIKey |
JYXRTOZXTCCKNM-IBGZPJMESA-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