General Information of the Compound
| Compound ID |
CP0440869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(3S)-3-hydroxy-2,2-dimethylpentan-3-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H43NO4
|
||||||||||||||||||
| Molecular Weight |
481.677
|
||||||||||||||||||
| Canonical SMILES |
CC[C@](O)([C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H43NO4/c1-6-30(33,26(2,3)4)21-16-27-11-12-29(21,34-5)25-28(27)13-14-31(17-18-7-8-18)22(27)15-19-9-10-20(32)24(35-25)23(19)28/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22+,25+,27+,28-,29+,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGVDQPNQFCSAQQ-DKMGXXMGSA-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
Protein ID: PT01360, Nociceptin receptor