General Information of the Compound
| Compound ID |
CP0951112
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| Compound Name |
7-(2-(5-(4-amino-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)ethyl)-N-ethylquinolin-2-amine
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| Structure |
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| Formula |
C28H27N9
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| Molecular Weight |
489.587
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| Canonical SMILES |
CCNc1ccc2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C28H27N9/c1-3-31-25-9-8-20-7-6-18(13-24(20)34-25)4-5-19-12-21(15-30-14-19)37-16-22(23-10-11-36(2)35-23)26-27(29)32-17-33-28(26)37/h6-17H,3-5H2,1-2H3,(H,31,34)(H2,29,32,33)
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| InChIKey |
MGYPBJZTLRUCSX-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