General Information of the Compound
| Compound ID |
CP0503261
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| Compound Name |
(+/-)-11-((1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine
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| Structure |
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| Formula |
C35H42N6O2
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| Molecular Weight |
578.761
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| Canonical SMILES |
CCCN1CCc2cccc-3c2C1Cc1cccc(OCc2cn(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31
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| InChI |
InChI=1S/C35H42N6O2/c1-3-15-39-16-14-26-8-6-10-29-34(26)31(39)23-27-9-7-13-33(35(27)29)43-25-28-24-41(37-36-28)22-19-38-17-20-40(21-18-38)30-11-4-5-12-32(30)42-2/h4-13,24,31H,3,14-23,25H2,1-2H3
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| InChIKey |
JVAFIFLJBRUNJB-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