General Information of the Compound
| Compound ID |
CP0509458
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| Compound Name |
1-(6-(azetidin-1-yl)-2-cyclopropylpyrimidin-4-yl)azepane
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| Structure |
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| Formula |
C16H24N4
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| Molecular Weight |
272.396
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| Canonical SMILES |
C1CC1c1nc(cc(n1)N1CCCCCC1)N1CCC1
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| InChI |
InChI=1S/C16H24N4/c1-2-4-9-19(8-3-1)14-12-15(20-10-5-11-20)18-16(17-14)13-6-7-13/h12-13H,1-11H2
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| InChIKey |
UZFSUYXDEBVIPE-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