General Information of the Compound
| Compound ID |
CP0460833
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| Compound Name |
N-[(9-amino-6,7-dimethoxy-1,2,3,4-tetrahydroacridin-3-yl)methyl]-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H24F3N3O3
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| Molecular Weight |
459.468
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| Canonical SMILES |
COc1cc2nc3CC(CNC(=O)c4ccccc4C(F)(F)F)CCc3c(N)c2cc1OC
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| InChI |
InChI=1S/C24H24F3N3O3/c1-32-20-10-16-19(11-21(20)33-2)30-18-9-13(7-8-15(18)22(16)28)12-29-23(31)14-5-3-4-6-17(14)24(25,26)27/h3-6,10-11,13H,7-9,12H2,1-2H3,(H2,28,30)(H,29,31)
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| InChIKey |
QIOOWTWBRUIBKP-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: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor