General Information of the Compound
| Compound ID |
CP0856366
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| Compound Name |
N1,N12-bis(3-(6aR)-(Apomorphin-O10-yl)propyl)dodecanediamide
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| Structure |
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| Formula |
C52H66N4O6
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| Molecular Weight |
843.122
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| Canonical SMILES |
CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3
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| InChI |
InChI=1S/C52H66N4O6/c1-55-29-25-35-15-11-17-39-47(35)41(55)33-37-21-23-43(51(59)49(37)39)61-31-13-27-53-45(57)19-9-7-5-3-4-6-8-10-20-46(58)54-28-14-32-62-44-24-22-38-34-42-48-36(26-30-56(42)2)16-12-18-40(48)50(38)52(44)60/h11-12,15-18,21-24,41-42,59-60H,3-10,13-14,19-20,25-34H2,1-2H3,(H,53,57)(H,54,58)/t41-,42-/m1/s1
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| InChIKey |
GQDSHJHRYRHFRN-NCRNUEESSA-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