General Information of the Compound
| Compound ID |
CP0552939
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| Compound Name |
N-[1-(5-chloro-2-methoxypyridin-4-yl)azetidin-3-yl]-8,9-dimethylpyrazolo[3,4-h]quinazolin-4-amine
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| Structure |
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| Formula |
C20H20ClN7O
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| Molecular Weight |
409.881
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| Canonical SMILES |
COc1cc(N2CC(C2)Nc2ncnc3c4c(C)n(C)nc4ccc23)c(Cl)cn1
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| InChI |
InChI=1S/C20H20ClN7O/c1-11-18-15(26-27(11)2)5-4-13-19(18)23-10-24-20(13)25-12-8-28(9-12)16-6-17(29-3)22-7-14(16)21/h4-7,10,12H,8-9H2,1-3H3,(H,23,24,25)
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| InChIKey |
JMBUQDNWENYELJ-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