General Information of the Compound
| Compound ID |
CP0372742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-chloro-5-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-3,4-dihydro-2H-chromen-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15ClF3N3O2
|
||||||||||||||||||
| Molecular Weight |
421.806
|
||||||||||||||||||
| Canonical SMILES |
OC1COc2c(Cl)ccc(Nc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15ClF3N3O2/c21-15-5-6-16(14-7-13(28)9-29-19(14)15)27-18-8-17(25-10-26-18)11-1-3-12(4-2-11)20(22,23)24/h1-6,8,10,13,28H,7,9H2,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHWOQIIPUGRKNG-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
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1