General Information of the Compound
| Compound ID |
CP0412095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9090618, B56c(ii)
Show/Hide
|
||||||||||||||||||
| Formula |
C31H44N4O2
|
||||||||||||||||||
| Molecular Weight |
504.719
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@@H]1C[C@H]2CCC[C@H](C2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H44N4O2/c36-30(37)20-33-13-5-8-23(19-33)31-32-28-11-1-2-12-29(28)35(31)27-17-24-9-4-10-25(18-27)34(24)26-15-21-6-3-7-22(14-21)16-26/h1-2,11-12,21-27H,3-10,13-20H2,(H,36,37)/t21-,22+,23-,24-,25+,26+,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BULRYAVAAXWJIN-NNKIXODWSA-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