General Information of the Compound
| Compound ID |
CP0459890
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| Compound Name |
N-[(9-amino-6,7-dimethoxy-1,2,3,4-tetrahydroacridin-3-yl)methyl]-3-(trifluoromethyl)benzamide;hydrochloride
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| Structure |
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| Formula |
C24H25ClF3N3O3
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| Molecular Weight |
495.929
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| Canonical SMILES |
Cl.COc1cc2nc3CC(CNC(=O)c4cccc(c4)C(F)(F)F)CCc3c(N)c2cc1OC
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| InChI |
InChI=1S/C24H24F3N3O3.ClH/c1-32-20-10-17-19(11-21(20)33-2)30-18-8-13(6-7-16(18)22(17)28)12-29-23(31)14-4-3-5-15(9-14)24(25,26)27;/h3-5,9-11,13H,6-8,12H2,1-2H3,(H2,28,30)(H,29,31);1H
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| InChIKey |
NAEUHVGJYGSIJV-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