General Information of the Compound
| Compound ID |
CP0869369
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| Compound Name |
N1,N6-Bis(3-(6aR)-(apomorphin-O10-yl)propyl)adipamide
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| Structure |
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| Formula |
C46H54N4O6
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| Molecular Weight |
758.96
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| Canonical SMILES |
CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3
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| InChI |
InChI=1S/C46H54N4O6/c1-49-23-19-29-9-5-11-33-41(29)35(49)27-31-15-17-37(45(53)43(31)33)55-25-7-21-47-39(51)13-3-4-14-40(52)48-22-8-26-56-38-18-16-32-28-36-42-30(20-24-50(36)2)10-6-12-34(42)44(32)46(38)54/h5-6,9-12,15-18,35-36,53-54H,3-4,7-8,13-14,19-28H2,1-2H3,(H,47,51)(H,48,52)/t35-,36-/m1/s1
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| InChIKey |
YROMNPOPNCSEGR-LQFQNGICSA-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