General Information of the Compound
| Compound ID |
CP0542314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-5-[9-[3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,2,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N5O2
|
||||||||||||||||||
| Molecular Weight |
471.483
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(n1)-c1ccc2n(CCCOc3nc(C)cc(n3)C(F)(F)F)c3CCCCc3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N5O2/c1-14-12-21(24(25,26)27)30-23(28-14)33-11-5-10-32-19-7-4-3-6-17(19)18-13-16(8-9-20(18)32)22-29-15(2)31-34-22/h8-9,12-13H,3-7,10-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSAJSSFTDJCVOD-UHFFFAOYSA-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