General Information of the Compound
| Compound ID |
CP0438184
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| Compound Name |
(+/-)-11-((1-(3-(4-Pyrimidinpiperazin-2-yl)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N-propylnoraporphine
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| Structure |
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| Formula |
C33H40N8O
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| Molecular Weight |
564.738
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| Canonical SMILES |
CCCN1CCc2cccc-3c2C1Cc1cccc(OCc2cn(CCCN4CCN(CC4)c4ncccn4)nn2)c-31
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| InChI |
InChI=1S/C33H40N8O/c1-2-14-39-17-11-25-7-3-9-28-31(25)29(39)22-26-8-4-10-30(32(26)28)42-24-27-23-41(37-36-27)16-6-15-38-18-20-40(21-19-38)33-34-12-5-13-35-33/h3-5,7-10,12-13,23,29H,2,6,11,14-22,24H2,1H3
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| InChIKey |
KGMLFGARCJUMAB-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