General Information of the Compound
| Compound ID |
CP0909540
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| Compound Name |
N-(4-(4-Amino-3-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl)acrylamide
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| Structure |
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| Formula |
C27H26ClFN6O2
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| Molecular Weight |
520.996
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| Canonical SMILES |
C=CC(=O)NC1CCC(n2nc(-c3ccc(OCc4cccc(F)c4)c(Cl)c3)c3c(N)ncnc32)CC1
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| InChI |
InChI=1S/C27H26ClFN6O2/c1-2-23(36)33-19-7-9-20(10-8-19)35-27-24(26(30)31-15-32-27)25(34-35)17-6-11-22(21(28)13-17)37-14-16-4-3-5-18(29)12-16/h2-6,11-13,15,19-20H,1,7-10,14H2,(H,33,36)(H2,30,31,32)
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| InChIKey |
RRDMLLWHVPEZIO-UHFFFAOYSA-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