General Information of the Compound
| Compound ID |
CP0472133
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-[4-(trifluoromethyl)phenyl]quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16F3NO2S
|
||||||||||||||||||
| Molecular Weight |
403.425
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccnc2ccc(cc12)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16F3NO2S/c22-21(23,24)15-5-2-13(3-6-15)14-4-7-17-16(12-14)18(8-11-25-17)28-20(19(26)27)9-1-10-20/h2-8,11-12H,1,9-10H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRYFCIHBFXBRCE-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