General Information of the Compound
| Compound ID |
CP0489363
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| Compound Name |
1-(2-cyclopropyl-6-(3-methylazetidin-1-yl)pyrimidin-4-yl)azepane
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| Structure |
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| Formula |
C17H26N4
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| Molecular Weight |
286.423
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| Canonical SMILES |
CC1CN(C1)c1cc(nc(n1)C1CC1)N1CCCCCC1
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| InChI |
InChI=1S/C17H26N4/c1-13-11-21(12-13)16-10-15(18-17(19-16)14-6-7-14)20-8-4-2-3-5-9-20/h10,13-14H,2-9,11-12H2,1H3
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| InChIKey |
LVEWVTVQNUIEPS-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