General Information of the Compound
| Compound ID |
CP0462909
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| Compound Name |
1-(2-cyclopropyl-5-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl)azepane
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| Structure |
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| Formula |
C18H28N4
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| Molecular Weight |
300.45
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| Canonical SMILES |
Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCC1
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| InChI |
InChI=1S/C18H28N4/c1-14-17(21-10-4-2-3-5-11-21)19-16(15-8-9-15)20-18(14)22-12-6-7-13-22/h15H,2-13H2,1H3
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| InChIKey |
ZNEJOQYHVKBESN-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