General Information of the Compound
| Compound ID |
CP0442525
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| Compound Name |
3-methyl-4-phenyl-1,2,3,4,5,6,7,8-octahydroazonino[5,4-b]indole
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| Structure |
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| Formula |
C21H24N2
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| Molecular Weight |
304.437
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| Canonical SMILES |
CN1CCc2c(CCCC1c1ccccc1)[nH]c1ccccc21
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| InChI |
InChI=1S/C21H24N2/c1-23-15-14-18-17-10-5-6-11-19(17)22-20(18)12-7-13-21(23)16-8-3-2-4-9-16/h2-6,8-11,21-22H,7,12-15H2,1H3
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| InChIKey |
NPHHQESYNYBBOA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor