General Information of the Compound
| Compound ID |
CP0218061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25FN4OS
|
||||||||||||||||||
| Molecular Weight |
484.6
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3n(ncc3c2)-c2ccc(F)cc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25FN4OS/c1-18-16-30-27(35-18)32-26(34)28(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)17-31-33(24)23-12-10-22(29)11-13-23/h4-17,25H,1-3H3,(H,30,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWYRESCAPFFEFD-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