General Information of the Compound
| Compound ID |
CP0576773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-4-(cyclobutylamino)-1-(3,3-difluoropiperidin-1-yl)-4-oxobutan-2-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36F5N5O2
|
||||||||||||||||||
| Molecular Weight |
581.63
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccccc1-c1cc(nn1C1CCCC1)C(=O)N[C@H](CN1CCCC(F)(F)C1)CC(=O)NC1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36F5N5O2/c30-28(31)13-6-14-38(18-28)17-20(15-26(40)35-19-7-5-8-19)36-27(41)24-16-25(39(37-24)21-9-1-2-10-21)22-11-3-4-12-23(22)29(32,33)34/h3-4,11-12,16,19-21H,1-2,5-10,13-15,17-18H2,(H,35,40)(H,36,41)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVXPEKAVEYHVJE-FQEVSTJZSA-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 | |||||||||||||||||||
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