General Information of the Compound
| Compound ID |
CP0037328
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| Compound Name |
(6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium
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| Structure |
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| Formula |
C17H17NO2
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| Molecular Weight |
267.328
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| Canonical SMILES |
Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
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| InChI |
InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
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| InChIKey |
BGOQGUHWXBGXJW-RHSMWYFYSA-N
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| CAS |
174691-84-0
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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
Cell-based Assay
Protein ID: PT04612, D(1B) dopamine receptor
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Protein ID: PT01366, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT02684, D(4) dopamine receptor