General Information of the Compound
| Compound ID |
CP0906113
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| Compound Name |
(+/-)-11-((1-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine
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| Structure |
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| Formula |
C37H46N6O2
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| Molecular Weight |
606.815
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| Canonical SMILES |
CCCN1CCc2cccc3c2C1Cc1cccc(OCc2cn(CCCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3
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| InChI |
InChI=1S/C37H46N6O2/c1-3-17-41-20-16-28-10-8-12-31-36(28)33(41)25-29-11-9-15-35(37(29)31)45-27-30-26-43(39-38-30)19-7-6-18-40-21-23-42(24-22-40)32-13-4-5-14-34(32)44-2/h4-5,8-15,26,33H,3,6-7,16-25,27H2,1-2H3
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| InChIKey |
OXHFCAMGABAVGJ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor