General Information of the Compound
| Compound ID |
CP0410120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,11R,15R,16R,17S,19S)-22-benzyl-6-hydroxy-12-methyl-2,4,18-trioxa-12,22-diazaheptacyclo[15.4.2.15,9.01,16.011,19.015,19.015,24]tetracosa-5,7,9(24)-trien-23-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N2O5
|
||||||||||||||||||
| Molecular Weight |
460.53
|
||||||||||||||||||
| Canonical SMILES |
CN1CC[C@]23[C@@H]4[C@@H]5O[C@@]22CC[C@@]4(OCOc4c(O)ccc(C[C@@H]12)c34)N(Cc1ccccc1)C5=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N2O5/c1-28-12-11-25-20-17-7-8-18(30)21(20)32-15-33-27-10-9-26(25,19(28)13-17)34-22(23(25)27)24(31)29(27)14-16-5-3-2-4-6-16/h2-8,19,22-23,30H,9-15H2,1H3/t19-,22+,23+,25+,26-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMYGREYAJXZCDV-VXDHFRBISA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor