General Information of the Compound
| Compound ID |
CP0513748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 296
Show/Hide
|
||||||||||||||||||
| Formula |
C25H31N3O3
|
||||||||||||||||||
| Molecular Weight |
421.541
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2C3CCCC2CCC3)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O3/c29-24-22(25(30)31)26-20-9-1-2-10-21(20)28(24)19-13-17-11-12-18(14-19)27(17)23-15-5-3-6-16(23)8-4-7-15/h1-2,9-10,15-19,23H,3-8,11-14H2,(H,30,31)/t15?,16?,17-,18+,19+,23?
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJMXTKVQIOTTEI-PVHYDFKYSA-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