General Information of the Compound
| Compound ID |
CP0941773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 317
Show/Hide
|
||||||||||||||||||
| Formula |
C26H34N8O2
|
||||||||||||||||||
| Molecular Weight |
490.612
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1nn[nH]n1)c1nc2ccccc2n([C@H]2C[C@H]3CC[C@@H](C2)N3C2CCCCCCC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34N8O2/c35-25(27-16-23-29-31-32-30-23)24-26(36)34(22-11-7-6-10-21(22)28-24)20-14-18-12-13-19(15-20)33(18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-20H,1-5,8-9,12-16H2,(H,27,35)(H,29,30,31,32)/t18-,19+,20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
REWQKXIQNSHMQB-PMOLBWCYSA-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