General Information of the Compound
| Compound ID |
CP0548618
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| Compound Name |
N-[1-(5-chloro-2-methoxypyridin-4-yl)azetidin-3-yl]-1-methyltriazolo[4,5-h]quinazolin-6-amine
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| Structure |
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| Formula |
C18H17ClN8O
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| Molecular Weight |
396.842
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| Canonical SMILES |
COc1cc(N2CC(C2)Nc2ncnc3c4n(C)nnc4ccc23)c(Cl)cn1
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| InChI |
InChI=1S/C18H17ClN8O/c1-26-17-13(24-25-26)4-3-11-16(17)21-9-22-18(11)23-10-7-27(8-10)14-5-15(28-2)20-6-12(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,23)
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| InChIKey |
MPKRVNWGGQKMHJ-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