General Information of the Compound
| Compound ID |
CP0456970
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| Compound Name |
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-(4-fluorophenyl)-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
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| Structure |
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| Formula |
C26H28FN3O2
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| Molecular Weight |
433.527
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| Canonical SMILES |
Fc1ccc(cc1)N1N=C(C2CC2C1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C26H28FN3O2/c27-18-6-8-20(9-7-18)30-26(31)24-16-23(24)25(28-30)17-4-10-21(11-5-17)32-22-12-14-29(15-13-22)19-2-1-3-19/h4-11,19,22-24H,1-3,12-16H2
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| InChIKey |
MIFDMQMAVDEZME-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