General Information of the Compound
| Compound ID |
CP0439624
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| Compound Name |
(6aS,12bR)-(-)-2,3-dihydroxy-6a,7,8,12b-tetrahydro-6H-chromeno[3,4-c]isoquinoline
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| Structure |
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| Formula |
C16H15NO3
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| Molecular Weight |
269.3
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| Canonical SMILES |
Oc1cc2OC[C@@H]3NCc4ccccc4[C@H]3c2cc1O
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| InChI |
InChI=1S/C16H15NO3/c18-13-5-11-15(6-14(13)19)20-8-12-16(11)10-4-2-1-3-9(10)7-17-12/h1-6,12,16-19H,7-8H2/t12-,16-/m0/s1
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| InChIKey |
QDUNOUQOKOYLCH-LRDDRELGSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor