General Information of the Compound
| Compound ID |
CP0437944
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4519976
Show/Hide
|
||||||||||||||||||
| Formula |
C27H43N3O3
|
||||||||||||||||||
| Molecular Weight |
457.659
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)CN(CCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)C(=O)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H43N3O3/c1-3-20(4-2)18-29(26(32)19-31)13-6-5-7-14-30-24-11-12-25(30)17-23(16-24)21-9-8-10-22(15-21)27(28)33/h8-10,15,20,23-25,31H,3-7,11-14,16-19H2,1-2H3,(H2,28,33)/t23-,24+,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
BAJJIHKMLNYVEG-QEIWAGNOSA-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: PT01515, Mu-type opioid receptor