General Information of the Compound
| Compound ID |
CP0875644
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| Compound Name |
N1,N10-bis(3-(6aR)-(Apomorphin-O10-yl)propyl)decanediamide
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| Structure |
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| Formula |
C50H62N4O6
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| Molecular Weight |
815.068
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| Canonical SMILES |
CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3
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| InChI |
InChI=1S/C50H62N4O6/c1-53-27-23-33-13-9-15-37-45(33)39(53)31-35-19-21-41(49(57)47(35)37)59-29-11-25-51-43(55)17-7-5-3-4-6-8-18-44(56)52-26-12-30-60-42-22-20-36-32-40-46-34(24-28-54(40)2)14-10-16-38(46)48(36)50(42)58/h9-10,13-16,19-22,39-40,57-58H,3-8,11-12,17-18,23-32H2,1-2H3,(H,51,55)(H,52,56)/t39-,40-/m1/s1
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| InChIKey |
UXUXUQARLNBXGL-XRSDMRJBSA-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