General Information of the Compound
| Compound ID |
CP0860609
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| Compound Name |
N-Ethyl-2-(4-hydroxyphenyl)-norapomorphine hydrochloride
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| Structure |
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| Formula |
C24H24ClNO3
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| Molecular Weight |
409.913
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| Canonical SMILES |
CCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
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| InChI |
InChI=1S/C24H23NO3.ClH/c1-2-25-10-9-16-11-17(14-3-6-18(26)7-4-14)12-19-22(16)20(25)13-15-5-8-21(27)24(28)23(15)19;/h3-8,11-12,20,26-28H,2,9-10,13H2,1H3;1H/t20-;/m1./s1
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| InChIKey |
OKTFSLVUAFWGHE-VEIFNGETSA-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