General Information of the Compound
| Compound ID |
CP0966493
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| Compound Name |
7-((5-(4-amino-5-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-N-methylquinolin-2-amine
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| Structure |
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| Formula |
C27H27N7O
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| Molecular Weight |
465.561
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| Canonical SMILES |
CNc1ccc2ccc(OCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)c3)cc2n1
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| InChI |
InChI=1S/C27H27N7O/c1-29-24-9-7-19-6-8-21(11-23(19)33-24)35-15-17-10-20(13-30-12-17)34-14-22(18-4-2-3-5-18)25-26(28)31-16-32-27(25)34/h6-14,16,18H,2-5,15H2,1H3,(H,29,33)(H2,28,31,32)
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| InChIKey |
MPZJJSVEYKLWMN-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