General Information of the Compound
| Compound ID |
CP0422265
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| Compound Name |
7-allyl-2,3-dimethoxy-5,6,7,8,9,14-hexahydrodibenz[d,g]azecine
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| Structure |
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| Formula |
C22H27NO2
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| Molecular Weight |
337.463
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| Canonical SMILES |
COc1cc2CCN(CC=C)CCc3ccccc3Cc2cc1OC
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| InChI |
InChI=1S/C22H27NO2/c1-4-11-23-12-9-17-7-5-6-8-18(17)14-20-16-22(25-3)21(24-2)15-19(20)10-13-23/h4-8,15-16H,1,9-14H2,2-3H3
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| InChIKey |
GYLIWJFZRVUBRM-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