General Information of the Compound
| Compound ID |
CP0471346
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| Compound Name |
(+/-)-11-(3-(4-((4-(2-Methoxyphenyl)piperazin-1-yl)propyl)-1H-1,2,3-triazol-1-yl)propoxy)-N-propylnoraporphine
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| Structure |
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| Formula |
C38H48N6O2
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| Molecular Weight |
620.842
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| Canonical SMILES |
CCCN1CCc2cccc-3c2C1Cc1cccc(OCCCn2cc(CCCN4CCN(CC4)c4ccccc4OC)nn2)c-31
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| InChI |
InChI=1S/C38H48N6O2/c1-3-18-42-21-17-29-10-6-13-32-37(29)34(42)27-30-11-7-16-36(38(30)32)46-26-9-20-44-28-31(39-40-44)12-8-19-41-22-24-43(25-23-41)33-14-4-5-15-35(33)45-2/h4-7,10-11,13-16,28,34H,3,8-9,12,17-27H2,1-2H3
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| InChIKey |
VZDMPXBUIWEQHN-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