General Information of the Compound
| Compound ID |
CP0953221
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| Compound Name |
7-(5-(((2-(azetidin-1-yl)quinolin-7-yl)oxy)methyl)pyridin-3-yl)-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C24H20ClN7O
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| Molecular Weight |
457.925
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| Canonical SMILES |
Nc1ncnc2c1c(Cl)cn2-c1cncc(COc2ccc3ccc(N4CCC4)nc3c2)c1
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| InChI |
InChI=1S/C24H20ClN7O/c25-19-12-32(24-22(19)23(26)28-14-29-24)17-8-15(10-27-11-17)13-33-18-4-2-16-3-5-21(30-20(16)9-18)31-6-1-7-31/h2-5,8-12,14H,1,6-7,13H2,(H2,26,28,29)
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| InChIKey |
KEFLGTLPLYHWIS-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