General Information of the Compound
| Compound ID |
CP0492151
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 203
Show/Hide
|
||||||||||||||||||
| Formula |
C30H41N5O4
|
||||||||||||||||||
| Molecular Weight |
535.689
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCCN1C(=O)CNc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41N5O4/c36-27(33-16-8-13-26(33)30(38)39)19-31-28-29(37)35(25-12-7-6-11-24(25)32-28)23-17-21-14-15-22(18-23)34(21)20-9-4-2-1-3-5-10-20/h6-7,11-12,20-23,26H,1-5,8-10,13-19H2,(H,31,32)(H,38,39)/t21-,22+,23+,26?
Show/Hide
|
||||||||||||||||||
| InChIKey |
COFSCIIPIGUTBA-IXTVZHAKSA-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