General Information of the Compound
| Compound ID |
CP0037773
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| Compound Name |
(4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenoxy)pyridin-2-yl)methanone
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| Structure |
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| Formula |
C21H24FN3O2
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| Molecular Weight |
369.44
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| Canonical SMILES |
Fc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2
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| InChIKey |
CYZQWEFZTAKFND-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor