General Property |
Molceule ID (DB) | EGIN0003907 |
Inhibitor Class | Phthalimide |
Molecule Name in Refrence Article | 5b 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}propanamide |
Formula | C29H26N4O10 |
Mass | 590.5375 |
Exact Mass | 590.1648931 |
Composition | C (58.98%), H (4.44%), N (9.49%), O (27.09%) |
Atom Count | 69 |
PI | 2.96 |
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)CC |
InChI | 1S/C29H26N4O10/c1-2-15(37)31-33-27(41)18-16-10-5-3-7-12(35)20(10)30-21(16)23-17(19(18)28(33)42)11-6-
4-8-13(36)22(11)32(23)29-26(40)25(39)24(38)14(9-34)43-29/h3-8,14,24-26,29-30,34-36,38-40H,2,9H2,1H3,
(H,31,37)/t14-,24-,25+,26-,29-/m1/s1 |
InChIKey | KJJSWCWDZTUVGL-GZVOYCJTSA-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 | 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 | 23118812 |
ChEMBL Link | CHEMBL278101 |