General Property |
Molceule ID (DB) | EGIN0003918 |
Inhibitor Class | Phthalimide |
Molecule Name in Refrence Article | 5m compound |
IUPAC Name | 5,21-dihydroxy-13-(methylamino)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione |
Formula | C27H24N4O9 |
Mass | 548.5009 |
Exact Mass | 548.1543284 |
Composition | C (59.12%), H (4.41%), N (10.21%), O (26.25%) |
Atom Count | 64 |
PI | 6.15 |
Smiles | n1([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c2c3c(c4c(=O)n(c(=O)c4c2c2c1c(O)ccc2)NC)c1c([nH]3)c(O)ccc1 |
InChI | 1S/C27H24N4O9/c1-28-31-25(38)16-14-9-4-2-6-11(33)18(9)29-19(14)21-15(17(16)26(31)39)10-5-3-7-12(34)2
0(10)30(21)27-24(37)23(36)22(35)13(8-32)40-27/h2-7,13,22-24,27-29,32-37H,8H2,1H3/t13-,22-,23+,24-,27
-/m1/s1 |
InChIKey | FYCRLNBEUFLEDZ-ISCYQWKGSA-N |
2D Structure | ![](./image/EGIN0003918.png) | Structure Backbone | ![](./frame/f_EGIN0003918.png) |
|
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 | 10340602 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKC | |
Pub Chem Link |
10256936
|
Drug Bank Link | - |
ChemSpider Link | 8432419 |
ChEMBL Link | CHEMBL277667 |