General Information of the Compound
| Compound ID |
CP0965371
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| Compound Name |
7-(5-(2-(2-(azetidin-1-yl)quinolin-7-yl)ethyl)pyridin-3-yl)-5-(1-methyl-1H-pyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C29H27N9
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| Molecular Weight |
501.598
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| Canonical SMILES |
Cn1ccc(-c2cn(-c3cncc(CCc4ccc5ccc(N6CCC6)nc5c4)c3)c3ncnc(N)c23)n1
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| InChI |
InChI=1S/C29H27N9/c1-36-12-9-24(35-36)23-17-38(29-27(23)28(30)32-18-33-29)22-13-20(15-31-16-22)4-3-19-5-6-21-7-8-26(34-25(21)14-19)37-10-2-11-37/h5-9,12-18H,2-4,10-11H2,1H3,(H2,30,32,33)
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| InChIKey |
PTLTXFWEGNXYHL-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