General Information of the Compound
| Compound ID |
CP0774001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(1-acryloyl-2,3,6,7-tetrahydro-1H-azepin-4-yl)phenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O2
|
||||||||||||||||||
| Molecular Weight |
404.514
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O2/c1-3-23(29)28-13-4-5-18(12-14-28)19-8-6-17(7-9-19)16(2)24(30)25-22-15-21(26-27-22)20-10-11-20/h3,5-9,15-16,20H,1,4,10-14H2,2H3,(H2,25,26,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFRSDNYJPASDOG-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