General Property |
Molceule ID (DB) | EGIN0003925 |
Inhibitor Class | Phthalimide |
Molecule Name in Refrence Article | 5t compound |
IUPAC Name | 13-[(1,3-dihydroxypropan-2-yl)amino]-5,21-dihydroxy-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 | C29H28N4O11 |
Mass | 608.5528 |
Exact Mass | 608.1754578 |
Composition | C (57.24%), H (4.64%), N (9.21%), O (28.92%) |
Atom Count | 72 |
PI | 5.69 |
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(CO)CO |
InChI | 1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)18-16-11-3-1-5-13(37)20(11)30-21(16)23-17(19(18)28(33)43)12
-4-2-6-14(38)22(12)32(23)29-26(41)25(40)24(39)15(9-36)44-29/h1-6,10,15,24-26,29-31,34-41H,7-9H2/t15-
,24-,25+,26-,29-/m1/s1 |
InChIKey | GCRUJJZDHHVZTG-FIVAAQFZSA-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 |
9851821
|
Drug Bank Link | - |
ChemSpider Link | 8027534 |
ChEMBL Link | CHEMBL277008 |