General Information of the Compound
| Compound ID |
CP0660102
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-(3-acetamido-1-isopropyl-1H-pyrazol-5-yl)-2-(3-azabicyclo[3.1.0]hexan-3-yl)phenyl)-2-fluoro-N[2H],6-dimethylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32FN5O2
|
||||||||||||||||||
| Molecular Weight |
492.6133053
|
||||||||||||||||||
| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(C)cccc1F)c1ccc(-c2cc(NC(C)=O)nn2C(C)C)cc1N1CC2CC2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32FN5O2/c1-16(2)34-24(13-26(31-34)30-18(4)35)19-9-10-23(25(12-19)33-14-20-11-21(20)15-33)32(5)28(36)27-17(3)7-6-8-22(27)29/h6-10,12-13,16,20-21H,11,14-15H2,1-5H3,(H,30,31,35)/i5D3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTGPYKOMDSOGEO-VPYROQPTSA-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