General Information of the Compound
| Compound ID |
CP0426226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9090618, ZA10
Show/Hide
|
||||||||||||||||||
| Formula |
C34H50N4O2
|
||||||||||||||||||
| Molecular Weight |
546.8
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H50N4O2/c39-34(40)14-17-36-15-12-24(13-16-36)21-33-35-31-10-3-4-11-32(31)38(33)30-22-27-8-5-9-28(23-30)37(27)29-19-25-6-1-2-7-26(18-25)20-29/h3-4,10-11,24-30H,1-2,5-9,12-23H2,(H,39,40)/t25-,26+,27-,28+,29-,30+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHAVXVBAQUXABX-HYQNUUMSSA-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 | |||||||||||||||||||
| 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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor