General Information of the Compound
| Compound ID |
CP0856365
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| Compound Name |
N1,N8-bis(3-(6aR)-(Apomorphin-O10-yl)propyl)octanediamide
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| Structure |
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| Formula |
C48H58N4O6
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| Molecular Weight |
787.014
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| Canonical SMILES |
CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3
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| InChI |
InChI=1S/C48H58N4O6/c1-51-25-21-31-11-7-13-35-43(31)37(51)29-33-17-19-39(47(55)45(33)35)57-27-9-23-49-41(53)15-5-3-4-6-16-42(54)50-24-10-28-58-40-20-18-34-30-38-44-32(22-26-52(38)2)12-8-14-36(44)46(34)48(40)56/h7-8,11-14,17-20,37-38,55-56H,3-6,9-10,15-16,21-30H2,1-2H3,(H,49,53)(H,50,54)/t37-,38-/m1/s1
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| InChIKey |
NTQMYHKKRHULRZ-XPSQVAKYSA-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