General Information of the Compound
| Compound ID |
CP0909541
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| Compound Name |
(R)-1-(3-(4-Amino-3-(3-chloro-4-((1-methyl-1H-indazol-3-yl)-methoxy)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 |
C28H27ClN8O2
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| Molecular Weight |
543.031
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4nn(C)c5ccccc45)c(Cl)c3)c3c(N)ncnc32)C1
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| InChI |
InChI=1S/C28H27ClN8O2/c1-3-24(38)36-12-6-7-18(14-36)37-28-25(27(30)31-16-32-28)26(34-37)17-10-11-23(20(29)13-17)39-15-21-19-8-4-5-9-22(19)35(2)33-21/h3-5,8-11,13,16,18H,1,6-7,12,14-15H2,2H3,(H2,30,31,32)/t18-/m1/s1
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| InChIKey |
DOCSYEHHMOAFQS-GOSISDBHSA-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