General Information of the Compound
| Compound ID |
CP0442040
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 311
Show/Hide
|
||||||||||||||||||
| Formula |
C32H38N4O4
|
||||||||||||||||||
| Molecular Weight |
542.68
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@@H](NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38N4O4/c37-30(34-28(32(39)40)21-11-5-4-6-12-21)29-31(38)36(27-16-10-9-15-26(27)33-29)25-19-23-17-18-24(20-25)35(23)22-13-7-2-1-3-8-14-22/h4-6,9-12,15-16,22-25,28H,1-3,7-8,13-14,17-20H2,(H,34,37)(H,39,40)/t23-,24+,25+,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFFSFVUFHHZADQ-FQJHJXCSSA-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