General Information of the Compound
| Compound ID |
CP0464023
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(12R)-5-methyl-13-propyl-4-oxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25NO
|
||||||||||||||||||
| Molecular Weight |
319.448
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2CC(C)Oc2c-31
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25NO/c1-3-10-23-11-9-15-5-4-6-18-20(15)19(23)13-16-7-8-17-12-14(2)24-22(17)21(16)18/h4-8,14,19H,3,9-13H2,1-2H3/t14?,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDXXFKBJGQZICX-JANGERMGSA-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