General Information of the Compound
| Compound ID |
CP0717530
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(1-isopropyl-3-propionamido-1H-pyrazol-5-yl)phenyl)-2-chloro-6-fluoro-N[2H]-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
527.0583053
|
||||||||||||||||||
| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(NC(=O)CC)nn2C(C)C)cc1N1CC2CC2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31ClFN5O2/c1-5-26(36)31-25-13-23(35(32-25)16(2)3)17-9-10-22(24(12-17)34-14-18-11-19(18)15-34)33(4)28(37)27-20(29)7-6-8-21(27)30/h6-10,12-13,16,18-19H,5,11,14-15H2,1-4H3,(H,31,32,36)/i4D3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJLSPJKXJLYRGH-GKOSEXJESA-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