| General Property |
| Molceule ID (DB) | EGIN0003921 |
| Inhibitor Class | Phthalimide |
| Molecule Name in Refrence Article | 5p compound |
| IUPAC Name | 5,21-dihydroxy-13-{[(3-hydroxyphenyl)methyl]amino}-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 | C33H28N4O10 |
| Mass | 640.5962 |
| Exact Mass | 640.1805431 |
| Composition | C (61.87%), H (4.41%), N (8.75%), O (24.98%) |
| Atom Count | 75 |
| PI | 5.7 |
| 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)NCc1cc(O)ccc1 |
| InChI | 1S/C33H28N4O10/c38-12-19-28(42)29(43)30(44)33(47-19)36-26-16(7-3-9-18(26)41)21-23-22(20-15-6-2-8-17(
40)24(15)35-25(20)27(21)36)31(45)37(32(23)46)34-11-13-4-1-5-14(39)10-13/h1-10,19,28-30,33-35,38-44H,
11-12H2/t19-,28-,29+,30-,33-/m1/s1 |
| InChIKey | BYTZPWNEHPPJQT-JDCTZXEMSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 23118759 |
| ChEMBL Link | CHEMBL282655 |
