General Information of the Compound
| Compound ID |
CP0539513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(3-methylphenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22F6N4O3
|
||||||||||||||||||
| Molecular Weight |
528.453
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C3=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F6N4O3/c1-14-3-2-4-18(9-14)31-20(36)33-7-5-22(6-8-33)19(35)34(21(37)32-22)13-15-10-16(23(25,26)27)12-17(11-15)24(28,29)30/h2-4,9-12H,5-8,13H2,1H3,(H,31,36)(H,32,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JADGYJSQQQKTON-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