General Property |
Molceule ID (DB) | EGIN0003911 |
Inhibitor Class | Phthalimide |
Molecule Name in Refrence Article | 5f compound |
IUPAC Name | N-{5,21-dihydroxy-12,14-dioxo-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-nonaen-13-yl}-2-hydroxyacetamide |
Formula | C28H24N4O11 |
Mass | 592.5104 |
Exact Mass | 592.1441576 |
Composition | C (56.76%), H (4.08%), N (9.46%), O (29.7%) |
Atom Count | 67 |
PI | 2.97 |
Smiles | n1(c(=O)c2c(c1=O)c1c(n([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)c3c1cccc3O)c1c2c2c([nH]1)c(O)ccc2)NC(=O)CO |
InChI | 1S/C28H24N4O11/c33-7-13-23(38)24(39)25(40)28(43-13)31-21-10(4-2-6-12(21)36)16-18-17(26(41)32(27(18)4
2)30-14(37)8-34)15-9-3-1-5-11(35)19(9)29-20(15)22(16)31/h1-6,13,23-25,28-29,33-36,38-40H,7-8H2,(H,30
,37)/t13-,23-,24+,25-,28-/m1/s1 |
InChIKey | RCWJXKICXPJLAU-LJPQDKIJSA-N |
2D Structure | ![](./image/EGIN0003911.png) | Structure Backbone | ![](./frame/f_EGIN0003911.png) |
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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 | 10340602 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKC | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23118789 |
ChEMBL Link | CHEMBL21221 |