General Information of the Compound
| Compound ID |
CP0861076
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| Compound Name |
2-{[2-(2,6-Dimethoxy-phenoxy)-ethylamino]-methyl}-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
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| Structure |
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| Formula |
C27H29NO4
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| Molecular Weight |
431.532
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| Canonical SMILES |
COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O
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| InChI |
InChI=1S/C27H29NO4/c1-30-24-13-8-14-25(31-2)27(24)32-16-15-28-18-20-17-23(19-9-4-3-5-10-19)21-11-6-7-12-22(21)26(20)29/h3-14,20,23,28H,15-18H2,1-2H3
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| InChIKey |
UZPNDQMXOWZSMG-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor