General Information of the Compound
| Compound ID |
CP0040673
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| Compound Name |
2-[2-(3-chloro-4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine
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| Structure |
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| Formula |
C19H22ClNO
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| Molecular Weight |
315.844
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| Canonical SMILES |
COc1ccc(CCN2CCCc3ccccc3C2)cc1Cl
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| InChI |
InChI=1S/C19H22ClNO/c1-22-19-9-8-15(13-18(19)20)10-12-21-11-4-7-16-5-2-3-6-17(16)14-21/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3
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| InChIKey |
XJDSIWDPPZVMAG-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