General Property |
Molceule ID (DB) | EGIN0003910 |
Inhibitor Class | Phthalimide |
Molecule Name in Refrence Article | 5e compound |
IUPAC Name | 2-cyano-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}acetamide |
Formula | C29H23N5O10 |
Mass | 601.5204 |
Exact Mass | 601.144492 |
Composition | C (57.9%), H (3.85%), N (11.64%), O (26.6%) |
Atom Count | 67 |
PI | 0.5 |
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#N |
InChI | 1S/C29H23N5O10/c30-8-7-15(38)32-34-27(42)18-16-10-3-1-5-12(36)20(10)31-21(16)23-17(19(18)28(34)43)11
-4-2-6-13(37)22(11)33(23)29-26(41)25(40)24(39)14(9-35)44-29/h1-6,14,24-26,29,31,35-37,39-41H,7,9H2,(
H,32,38)/t14-,24-,25+,26-,29-/m1/s1 |
InChIKey | PVCBVVOYHUBQJQ-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 | 23118766 |
ChEMBL Link | CHEMBL278526 |