General Property |
Molceule ID (DB) | EGIN0004863 |
Inhibitor Class | Unknown |
Molecule Name in Refrence Article | 4 |
IUPAC Name | 4-bromo-2-[(E)-N-[4-(piperidine-1-sulfonyl)phenyl]carboximidoyl]phenol |
Formula | C18H19BrN2O3S |
Mass | 423.324 |
Exact Mass | 422.0299758 |
Composition | C (51.07%), H (4.52%), Br (18.88%), N (6.62%), O (11.34%), S (7.57%) |
Atom Count | 44 |
PI | 4.45 |
Smiles | C1CCCN(C1)S(=O)(=O)c1ccc(cc1)/N=C/c1cc(ccc1O)Br |
InChI | 1S/C18H19BrN2O3S/c19-15-4-9-18(22)14(12-15)13-20-16-5-7-17(8-6-16)25(23,24)21-10-2-1-3-11-21/h4-9,12
-13,22H,1-3,10-11H2/b20-13+ |
InChIKey | ZOQWQEXFRVBSMB-DEDYPNTBSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 22595177 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
15749664
|
Drug Bank Link | - |
ChemSpider Link | 12022252 |
ChEMBL Link | - |