General Information of the Compound
| Compound ID |
CP0408409
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| Compound Name |
3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-7,8-dimethoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
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| Structure |
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| Formula |
C24H25N3O4
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| Molecular Weight |
419.481
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| Canonical SMILES |
COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC
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| InChI |
InChI=1S/C24H25N3O4/c1-15-16(24(28)27-14-22(30-3)21(29-2)12-23(27)25-15)8-10-26-11-9-20-18(13-26)17-6-4-5-7-19(17)31-20/h4-7,12,14H,8-11,13H2,1-3H3
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| InChIKey |
MBPZQLMDDBIIGZ-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