General Information of the Compound
| Compound ID |
CP0953223
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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)-2-ethyl-N-(2-methoxyethyl)-N-methylquinolin-4-amine
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| Structure |
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| Formula |
C32H35N9O
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| Molecular Weight |
561.694
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| Canonical SMILES |
CCc1cc(N(C)CCOC)c2ccc(CCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C32H35N9O/c1-5-23-16-29(39(2)12-13-42-4)25-9-8-21(15-28(25)37-23)6-7-22-14-24(18-34-17-22)41-19-26(27-10-11-40(3)38-27)30-31(33)35-20-36-32(30)41/h8-11,14-20H,5-7,12-13H2,1-4H3,(H2,33,35,36)
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| InChIKey |
OVKYVCDDPAXHHE-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