General Information of the Compound
| Compound ID |
CP0543585
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| Compound Name |
1-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]azepane
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| Structure |
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| Formula |
C18H22FN3O
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| Molecular Weight |
315.392
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| Canonical SMILES |
Fc1ccc(CCOc2cc(ncn2)N2CCCCCC2)cc1
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| InChI |
InChI=1S/C18H22FN3O/c19-16-7-5-15(6-8-16)9-12-23-18-13-17(20-14-21-18)22-10-3-1-2-4-11-22/h5-8,13-14H,1-4,9-12H2
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| InChIKey |
RHJIAKZINYMWQJ-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