General Information of the Compound
| Compound ID |
CP0501124
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| Compound Name |
5-[4-(1-ethylpiperidin-4-yl)oxyphenyl]-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
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| Structure |
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| Formula |
C18H23N3O2
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| Molecular Weight |
313.401
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| Canonical SMILES |
CCN1CCC(CC1)Oc1ccc(cc1)C1=NNC(=O)C2CC12
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| InChI |
InChI=1S/C18H23N3O2/c1-2-21-9-7-14(8-10-21)23-13-5-3-12(4-6-13)17-15-11-16(15)18(22)20-19-17/h3-6,14-16H,2,7-11H2,1H3,(H,20,22)
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| InChIKey |
IVMKVSRKTVFMDC-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