General Information of the Compound
| Compound ID |
CP0443503
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S,5S,9R,12S,13R,16S)-16-(dimethylamino)-7,13-dimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-18-en-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H36N2O
|
||||||||||||||||||
| Molecular Weight |
356.554
|
||||||||||||||||||
| Canonical SMILES |
CN(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]45CN(C)C(=O)[C@H]4CC[C@H]5[C@@H]3CC=C2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H36N2O/c1-22-11-9-16(24(2)3)13-15(22)5-6-17-18(22)10-12-23-14-25(4)21(26)20(23)8-7-19(17)23/h5,16-20H,6-14H2,1-4H3/t16-,17+,18-,19-,20+,22-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PQSIXDAWRTXGGA-SFXHKCFJSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor