General Information of the Compound
| Compound ID |
CP0544987
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9290488, B12a
Show/Hide
|
||||||||||||||||||
| Formula |
C30H40N4O3
|
||||||||||||||||||
| Molecular Weight |
504.675
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1C[C@H]2C[C@@H](C1)C[C@@H](C2)N1[C@H]2CCC[C@@H]1C[C@@H](C2)n1c2ccccc2nc(N2CC(C2)C(O)=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40N4O3/c1-18-9-19-11-20(10-18)13-24(12-19)33-22-5-4-6-23(33)15-25(14-22)34-27-8-3-2-7-26(27)31-28(29(34)35)32-16-21(17-32)30(36)37/h2-3,7-8,18-25H,4-6,9-17H2,1H3,(H,36,37)/t18-,19-,20+,22-,23+,24+,25+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VAXLFHVJPQEDLW-ILEMTEIHSA-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