General Information of the Compound
| Compound ID |
CP0875643
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| Compound Name |
(6aR)-O10-(3-Acetamidopropyl)apomorphine
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
CC(=O)NCCCOc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3
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| InChI |
InChI=1S/C22H26N2O3/c1-14(25)23-10-4-12-27-19-8-7-16-13-18-20-15(9-11-24(18)2)5-3-6-17(20)21(16)22(19)26/h3,5-8,18,26H,4,9-13H2,1-2H3,(H,23,25)/t18-/m1/s1
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| InChIKey |
LKBUQFJMIZRYTF-GOSISDBHSA-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