General Information of the Compound
| Compound ID |
CP0558713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[5-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F3N3O
|
||||||||||||||||||
| Molecular Weight |
455.524
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Cc2ccc3CCCc3c2)n(n1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F3N3O/c1-25(2,3)23-15-22(32(31-23)21-11-9-20(10-12-21)26(27,28)29)16-30-24(33)14-17-7-8-18-5-4-6-19(18)13-17/h7-13,15H,4-6,14,16H2,1-3H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPRINRXBSRESMO-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