General Information of the Compound
| Compound ID |
CP0578805
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-thiazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-yl]-ethylamino]methyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26Cl2F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
624.512
|
||||||||||||||||||
| Canonical SMILES |
CCN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(snc2-c2c(Cl)cccc2Cl)C(C)C)nc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26Cl2F3N3O3S/c1-4-37(14-17-8-10-18(11-9-17)28(38)39)22-12-13-23(35-27(22)29(32,33)34)40-15-19-25(36-41-26(19)16(2)3)24-20(30)6-5-7-21(24)31/h5-13,16H,4,14-15H2,1-3H3,(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
COHMPVJFUFRFDV-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 | |||||||||||||||||||
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