General Information of the Compound
| Compound ID |
CP0409279
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(1-(1H-Indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl)-2-fluoro-5-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F4N6O4
|
||||||||||||||||||
| Molecular Weight |
546.481
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)N(c2ccc3[nH]ncc3c2)C2(CCN(CC2)C(=O)CNC(=O)c2cc(ccc2F)C(F)(F)F)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F4N6O4/c1-33-22(38)24(35(23(33)39)16-3-5-19-14(10-16)12-31-32-19)6-8-34(9-7-24)20(36)13-30-21(37)17-11-15(25(27,28)29)2-4-18(17)26/h2-5,10-12H,6-9,13H2,1H3,(H,30,37)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTUNYIMDFLSMRE-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