General Information of the Compound
| Compound ID |
CP0399567
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| Compound Name |
1,2-Bis-[R-(-)-apomorphine-2'-oxy]ethane
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| Synonyms |
1,2-Bis-[R-(-)-apomorphine-2'-oxy]ethane
BDBM50251330
CHEMBL442926
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| Structure |
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| Formula |
C36H36N2O6
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| Molecular Weight |
592.692
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| Canonical SMILES |
CN1CCc2cc(OCCOc3cc4CCN(C)[C@@H]5Cc6ccc(O)c(O)c6-c(c3)c45)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
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| InChI |
InChI=1S/C36H36N2O6/c1-37-9-7-21-13-23(17-25-31(21)27(37)15-19-3-5-29(39)35(41)33(19)25)43-11-12-44-24-14-22-8-10-38(2)28-16-20-4-6-30(40)36(42)34(20)26(18-24)32(22)28/h3-6,13-14,17-18,27-28,39-42H,7-12,15-16H2,1-2H3/t27-,28-/m1/s1
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| InChIKey |
KWKONXOZQQYOJW-VSGBNLITSA-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
Clinical Information about the Compound