General Information of the Compound
| Compound ID |
CP0128621
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| Compound Name |
(2R,11bR)-9-methoxy-2-[4-(trifluoromethoxy)phenyl]-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2,10-diol
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| Structure |
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| Formula |
C21H22F3NO4
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| Molecular Weight |
409.404
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| Canonical SMILES |
COc1cc2CCN3CC[C@@](O)(C[C@@H]3c2cc1O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C21H22F3NO4/c1-28-19-10-13-6-8-25-9-7-20(27,12-17(25)16(13)11-18(19)26)14-2-4-15(5-3-14)29-21(22,23)24/h2-5,10-11,17,26-27H,6-9,12H2,1H3/t17-,20-/m1/s1
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| InChIKey |
WCWNXHJYVSNEHQ-YLJYHZDGSA-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