General Information of the Compound
| Compound ID |
CP0420826
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| Compound Name |
(6aR)-3-bromo-10,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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| Structure |
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| Formula |
C19H20BrNO2
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| Molecular Weight |
374.278
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| Canonical SMILES |
COc1ccc2C[C@H]3N(C)CCc4c(Br)ccc(c34)-c2c1OC
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| InChI |
InChI=1S/C19H20BrNO2/c1-21-9-8-12-14(20)6-5-13-17-11(10-15(21)18(12)13)4-7-16(22-2)19(17)23-3/h4-7,15H,8-10H2,1-3H3/t15-/m1/s1
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| InChIKey |
QCXMWEJEZDJYLD-OAHLLOKOSA-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: PT01005, D(2) dopamine receptor