General Information of the Compound
| Compound ID |
CP0484123
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9090618, O85d
Show/Hide
|
||||||||||||||||||
| Formula |
C34H48N4O4
|
||||||||||||||||||
| Molecular Weight |
576.782
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CN1\C(N([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c2ccccc12)=C1\CCCN(CC(O)=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H48N4O4/c39-32(40)21-35-14-6-9-25(20-35)34-36(22-33(41)42)30-12-3-4-13-31(30)38(34)29-18-26-10-5-11-27(19-29)37(26)28-16-23-7-1-2-8-24(15-23)17-28/h3-4,12-13,23-24,26-29H,1-2,5-11,14-22H2,(H,39,40)(H,41,42)/b34-25+/t23-,24+,26-,27+,28-,29+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHNUUYXYLQIOAI-OFRKXPITSA-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