General Information of the Compound
| Compound ID |
CP0570890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl]-4-fluoropiperidin-1-yl]-1,3-benzothiazole-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C27H24Cl2FN3O4S
|
||||||||||||||||||
| Molecular Weight |
576.477
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc2sc(nc2c1)N1CCC(F)(COCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24Cl2FN3O4S/c28-18-2-1-3-19(29)22(18)23-17(24(37-32-23)15-4-5-15)13-36-14-27(30)8-10-33(11-9-27)26-31-20-12-16(25(34)35)6-7-21(20)38-26/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLQBHOCJKWWLRM-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