General Information of the Compound
| Compound ID |
CP0464524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[8-tert-Butyl-2-oxo-3-(4-trifluoromethyl-phenyl)-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32F3N7O2
|
||||||||||||||||||
| Molecular Weight |
555.605
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(cc2)C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32F3N7O2/c1-26(2,3)20-12-14-27(15-13-20)17-37(22-10-8-21(9-11-22)28(29,30)31)25(40)38(27)16-18-4-6-19(7-5-18)23(39)32-24-33-35-36-34-24/h4-11,20H,12-17H2,1-3H3,(H2,32,33,34,35,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMRVHKODSZAOOF-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