General Information of the Compound
| Compound ID |
CP0861433
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N1,N14-bis(3-(6aR)-(Apomorphin-O10-yl)propyl)tetradecanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C54H70N4O6
|
||||||||||||||||||
| Molecular Weight |
871.176
|
||||||||||||||||||
| Canonical SMILES |
CN1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)N(C)CC5)c(O)c1-3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C54H70N4O6/c1-57-31-27-37-17-13-19-41-49(37)43(57)35-39-23-25-45(53(61)51(39)41)63-33-15-29-55-47(59)21-11-9-7-5-3-4-6-8-10-12-22-48(60)56-30-16-34-64-46-26-24-40-36-44-50-38(28-32-58(44)2)18-14-20-42(50)52(40)54(46)62/h13-14,17-20,23-26,43-44,61-62H,3-12,15-16,21-22,27-36H2,1-2H3,(H,55,59)(H,56,60)/t43-,44-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJTSBXZBORZVQY-NDOUMJCMSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound