General Information of the Compound
| Compound ID |
CP0395781
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| Compound Name |
(+/-)-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-1,2,3-triazol-1-yl)propoxy)-N-propylnoraporphine
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| Structure |
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| Formula |
C39H50N6O2
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| Molecular Weight |
634.869
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| Canonical SMILES |
CCCN1CCc2cccc-3c2C1Cc1cccc(OCCCn2cc(CCCCN4CCN(CC4)c4ccccc4OC)nn2)c-31
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| InChI |
InChI=1S/C39H50N6O2/c1-3-19-43-22-18-30-11-8-14-33-38(30)35(43)28-31-12-9-17-37(39(31)33)47-27-10-21-45-29-32(40-41-45)13-6-7-20-42-23-25-44(26-24-42)34-15-4-5-16-36(34)46-2/h4-5,8-9,11-12,14-17,29,35H,3,6-7,10,13,18-28H2,1-2H3
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| InChIKey |
LKMTURFCSVFFPV-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor