General Information of the Compound
| Compound ID |
CP0506685
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| Compound Name |
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-9-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
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| Structure |
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
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| InChI |
InChI=1S/C23H23N3O3/c1-15-16(23(27)26-11-5-8-21(28-2)22(26)24-15)9-12-25-13-10-20-18(14-25)17-6-3-4-7-19(17)29-20/h3-8,11H,9-10,12-14H2,1-2H3
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| InChIKey |
HPNSJGWCFMHOJX-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor