General Information of the Compound
| Compound ID |
CP0040675
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| Compound Name |
3-methoxy-6,7,9,10,11,15b-hexahydro-5H-[2]benzazepino[1,2-a][2]benzazepine
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| Structure |
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| Formula |
C20H23NO
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| Molecular Weight |
293.41
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| Canonical SMILES |
COc1ccc2C3N(CCCc4ccccc34)CCCc2c1
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| InChI |
InChI=1S/C20H23NO/c1-22-17-10-11-19-16(14-17)8-5-13-21-12-4-7-15-6-2-3-9-18(15)20(19)21/h2-3,6,9-11,14,20H,4-5,7-8,12-13H2,1H3
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| InChIKey |
LQBNKUHZTYCCMU-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: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor