General Information of the Compound
| Compound ID |
CP0375044
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| Compound Name |
2-benzyl-3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]pyrido[1,2-a]pyrimidin-4-one
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| Structure |
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| Formula |
C28H25N3O2
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| Molecular Weight |
435.527
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| Canonical SMILES |
O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12
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| InChI |
InChI=1S/C28H25N3O2/c32-28-22(13-16-30-17-14-26-23(19-30)21-10-4-5-11-25(21)33-26)24(18-20-8-2-1-3-9-20)29-27-12-6-7-15-31(27)28/h1-12,15H,13-14,16-19H2
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| InChIKey |
WGLYZLZIIJTKAG-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