General Information of the Compound
| Compound ID |
CP0395778
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| Compound Name |
(+/-)-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)propoxy)-N-propylnoraporphine
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| Structure |
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| Formula |
C36H44N6O2
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| Molecular Weight |
592.788
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| Canonical SMILES |
CCCN1CCc2cccc-3c2C1Cc1cccc(OCCCn2cc(CN4CCN(CC4)c4ccccc4OC)nn2)c-31
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| InChI |
InChI=1S/C36H44N6O2/c1-3-16-40-18-15-27-9-6-11-30-35(27)32(40)24-28-10-7-14-34(36(28)30)44-23-8-17-42-26-29(37-38-42)25-39-19-21-41(22-20-39)31-12-4-5-13-33(31)43-2/h4-7,9-14,26,32H,3,8,15-25H2,1-2H3
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| InChIKey |
OISSAGDOBVXRAL-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