General Information of the Compound
| Compound ID |
CP0371759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethoxy-4,24-diazahexacyclo[12.7.3.0^{1,13}.0^{3,11}.0^{5,10}.0^{16,21}]tetracosa-3(11),5(10),6,8,16,18,20-heptaen-13-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N2O3
|
||||||||||||||||||
| Molecular Weight |
444.575
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWSKUCKCKWZRHM-RYRVMRHHSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor