General Information of the Compound
| Compound ID |
CP0373529
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| Compound Name |
9-chloro-3-[2-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)ethyl]-2-methyl-7-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
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| Structure |
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| Formula |
C23H19ClF3N3O2
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| Molecular Weight |
461.871
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| Canonical SMILES |
Cc1nc2c(Cl)cc(cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1)C(F)(F)F
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| InChI |
InChI=1S/C23H19ClF3N3O2/c1-13-15(22(31)30-11-14(23(25,26)27)10-18(24)21(30)28-13)6-8-29-9-7-20-17(12-29)16-4-2-3-5-19(16)32-20/h2-5,10-11H,6-9,12H2,1H3
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| InChIKey |
JRMVEEDZCPVFFK-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