General Information of the Compound
| Compound ID |
CP0869370
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| Compound Name |
N1,N18-bis(3-(6aR)-(Apomorphin-O10-yl)propyl)octadecanediamide
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| Structure |
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| Formula |
C58H78N4O6
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| Molecular Weight |
927.284
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| Canonical SMILES |
CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3
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| InChI |
InChI=1S/C58H78N4O6/c1-61-35-31-41-21-17-23-45-53(41)47(61)39-43-27-29-49(57(65)55(43)45)67-37-19-33-59-51(63)25-15-13-11-9-7-5-3-4-6-8-10-12-14-16-26-52(64)60-34-20-38-68-50-30-28-44-40-48-54-42(32-36-62(48)2)22-18-24-46(54)56(44)58(50)66/h17-18,21-24,27-30,47-48,65-66H,3-16,19-20,25-26,31-40H2,1-2H3,(H,59,63)(H,60,64)/t47-,48-/m1/s1
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| InChIKey |
MBCXFUUKTICCLI-URZIEALYSA-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