General Information of the Compound
| Compound ID |
CP0519456
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4083411
Show/Hide
|
||||||||||||||||||
| Formula |
C24H21BrFN5O2
|
||||||||||||||||||
| Molecular Weight |
510.367
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn2c(O)cc(nc2c1-c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccc(Br)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21BrFN5O2/c1-14-22(16-2-5-18(26)6-3-16)23-28-19(12-21(32)31(23)29-14)15-8-10-30(11-9-15)24(33)17-4-7-20(25)27-13-17/h2-7,12-13,15,32H,8-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPEBUNDBUIAHKC-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 | |||||||||||||||||||
| 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: PT06401, Short transient receptor potential channel 4
Protein ID: PT06402, Short transient receptor potential channel 6