General Information of the Compound
| Compound ID |
CP0525577
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-(oxolan-3-yl)pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32N4O4S
|
||||||||||||||||||
| Molecular Weight |
448.589
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1c(C)nn(C2CCOC2)c1NS(=O)(=O)c1ccc(C)cc1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32N4O4S/c1-14-7-9-18(10-8-14)31(28,29)25-20-19(21(27)23-16(3)22(4,5)6)15(2)24-26(20)17-11-12-30-13-17/h7-10,16-17,25H,11-13H2,1-6H3,(H,23,27)/t16-,17?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAWWEYNGBNBIMY-BHWOMJMDSA-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