General Information of the Compound
| Compound ID |
CP0551251
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| Compound Name |
1-(2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidin-4-yl)azepane
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| Structure |
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| Formula |
C18H28N4O
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| Molecular Weight |
316.449
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| Canonical SMILES |
COC1CN(C1)c1nc(nc(N2CCCCCC2)c1C)C1CC1
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| InChI |
InChI=1S/C18H28N4O/c1-13-17(21-9-5-3-4-6-10-21)19-16(14-7-8-14)20-18(13)22-11-15(12-22)23-2/h14-15H,3-12H2,1-2H3
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| InChIKey |
FVUZIDRSHPEKLF-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