General Information of the Compound
| Compound ID |
CP0875642
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| Compound Name |
N1,N4-Bis(3-(6aR)-(apomorphin-O10-yl)propyl)succinamide
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| Structure |
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| Formula |
C44H50N4O6
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| Molecular Weight |
730.906
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| Canonical SMILES |
CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3
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| InChI |
InChI=1S/C44H50N4O6/c1-47-21-17-27-7-3-9-31-39(27)33(47)25-29-11-13-35(43(51)41(29)31)53-23-5-19-45-37(49)15-16-38(50)46-20-6-24-54-36-14-12-30-26-34-40-28(18-22-48(34)2)8-4-10-32(40)42(30)44(36)52/h3-4,7-14,33-34,51-52H,5-6,15-26H2,1-2H3,(H,45,49)(H,46,50)/t33-,34-/m1/s1
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| InChIKey |
STGBYQRLSYKRRZ-KKLWWLSJSA-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