General Property |
Molceule ID (DB) | EGIN0004176 |
Inhibitor Class | Isoindole-dione |
Molecule Name in Refrence Article | 22m compound |
IUPAC Name | 6,20-dihydroxy-13-({[6-(hydroxymethyl)pyridin-2-yl]methyl}amino)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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 | C33H29N5O11 |
Mass | 671.6103 |
Exact Mass | 671.1863568 |
Composition | C (59.02%), H (4.35%), N (10.43%), O (26.2%) |
Atom Count | 78 |
PI | 6.14 |
Smiles | c1(cccc(n1)CO)CNn1c(=O)c2c(c1=O)c1c3c([nH]c1c1c2c2ccc(cc2n1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)cc(cc3)O |
InChI | 1S/C33H29N5O11/c39-11-14-3-1-2-13(35-14)10-34-37-31(46)24-22-17-6-4-15(41)8-19(17)36-26(22)27-23(25(
24)32(37)47)18-7-5-16(42)9-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33-34,36
,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1 |
InChIKey | RTWGXFRLCDXCRX-OJSVXGLKSA-N |
2D Structure | ![](./image/EGIN0004176.png) | Structure Backbone | ![](./frame/f_EGIN0004176.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 | 19397324 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKC | Topo I | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23338148 |
ChEMBL Link | CHEMBL474561 |