General Information of the Compound
| Compound ID |
CP0054319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22FN5OS
|
||||||||||||||||||
| Molecular Weight |
471.561
|
||||||||||||||||||
| Canonical SMILES |
CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFFATDFCPKLQRT-QHCPKHFHSA-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