General Information of the Compound
| Compound ID |
CP0440492
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| Compound Name |
N-[(9-amino-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-2-yl)methyl]furan-2-carboxamide
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| Structure |
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| Formula |
C20H21N3O4
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| Molecular Weight |
367.405
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| Canonical SMILES |
COc1cc2nc3CC(CNC(=O)c4ccco4)Cc3c(N)c2cc1OC
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| InChI |
InChI=1S/C20H21N3O4/c1-25-17-8-13-15(9-18(17)26-2)23-14-7-11(6-12(14)19(13)21)10-22-20(24)16-4-3-5-27-16/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,21,23)(H,22,24)
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| InChIKey |
XFNOYNVDQOQPCY-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