General Information of the Compound
| Compound ID |
CP0899402
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| Compound Name |
N1,N20-bis(3-(6aR)-(Apomorphin-O10-yl)propyl)icosanediamide
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| Structure |
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| Formula |
C60H82N4O6
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| Molecular Weight |
955.338
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| Canonical SMILES |
CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3
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| InChI |
InChI=1S/C60H82N4O6/c1-63-37-33-43-23-19-25-47-55(43)49(63)41-45-29-31-51(59(67)57(45)47)69-39-21-35-61-53(65)27-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-28-54(66)62-36-22-40-70-52-32-30-46-42-50-56-44(34-38-64(50)2)24-20-26-48(56)58(46)60(52)68/h19-20,23-26,29-32,49-50,67-68H,3-18,21-22,27-28,33-42H2,1-2H3,(H,61,65)(H,62,66)/t49-,50-/m1/s1
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| InChIKey |
NECVYMDRWRRZKX-CDKYPKJRSA-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