General Information of the Compound
| Compound ID |
CP0472349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 128
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H36N4O4
|
||||||||||||||||||
| Molecular Weight |
480.609
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]12CC[C@@H](C[C@H](C1)n1c3ccccc3nc(C(=O)NCC(O)=O)c1=O)N2C1CCCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H36N4O4/c1-27-14-13-19(31(27)18-9-5-3-2-4-6-10-18)15-20(16-27)30-22-12-8-7-11-21(22)29-24(26(30)35)25(34)28-17-23(32)33/h7-8,11-12,18-20H,2-6,9-10,13-17H2,1H3,(H,28,34)(H,32,33)/t19-,20+,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBIAWASWRSQLLT-ASHZAFPQSA-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor