General Information of the Compound
| Compound ID |
CP0961088
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| Compound Name |
7-((5-(4-amino-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-N-cyclopropyl-2-ethyl-N-methylquinolin-4-amine
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| Structure |
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| Formula |
C31H31N9O
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| Molecular Weight |
545.651
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| Canonical SMILES |
CCc1cc(N(C)C2CC2)c2ccc(OCc3cncc(-n4cc(-c5ccn(C)n5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C31H31N9O/c1-4-20-12-28(39(3)21-5-6-21)24-8-7-23(13-27(24)36-20)41-17-19-11-22(15-33-14-19)40-16-25(26-9-10-38(2)37-26)29-30(32)34-18-35-31(29)40/h7-16,18,21H,4-6,17H2,1-3H3,(H2,32,34,35)
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| InChIKey |
INMAGOPYSSXERG-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