General Property |
Molceule ID (DB) | EGIN0003909 |
Inhibitor Class | Phthalimide |
Molecule Name in Refrence Article | 5d 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}pyridine-2-carboxamide |
Formula | C32H25N5O10 |
Mass | 639.5684 |
Exact Mass | 639.160142 |
Composition | C (60.09%), H (3.94%), N (10.95%), O (25.02%) |
Atom Count | 72 |
PI | 4.94 |
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)c1ncccc1 |
InChI | 1S/C32H25N5O10/c38-11-17-26(41)27(42)28(43)32(47-17)36-24-13(6-4-9-16(24)40)19-21-20(18-12-5-3-8-15(
39)22(12)34-23(18)25(19)36)30(45)37(31(21)46)35-29(44)14-7-1-2-10-33-14/h1-10,17,26-28,32,34,38-43H,
11H2,(H,35,44)/t17-,26-,27+,28-,32-/m1/s1 |
InChIKey | MXIBQMZPEMEWMG-YOSUWGJFSA-N |
2D Structure | ![](./image/EGIN0003909.png) | Structure Backbone | ![](./frame/f_EGIN0003909.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 | 23118825 |
ChEMBL Link | CHEMBL20255 |