General Information of the Compound
| Compound ID |
CP0433463
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| Compound Name |
2,3-dimethoxy-7-phenylethyl-5,6,7,8,9,14-hexahydrodibenz-[d,g]azecine
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| Structure |
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| Formula |
C27H31NO2
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| Molecular Weight |
401.55
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| Canonical SMILES |
COc1cc2CCN(CCc3ccccc3)CCc3ccccc3Cc2cc1OC
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| InChI |
InChI=1S/C27H31NO2/c1-29-26-19-24-14-17-28(15-12-21-8-4-3-5-9-21)16-13-22-10-6-7-11-23(22)18-25(24)20-27(26)30-2/h3-11,19-20H,12-18H2,1-2H3
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| InChIKey |
ZOYFGQMKVZZMJK-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