General Property |
Molceule ID (DB) | EGIN0000230 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 26 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-(3-{[(1R)-3-hydroxy-1-methyl-4-[(morpholin-4-yl)amino]-2-oxocyclopent-3-en-1-yl]oxy}propoxy)pyrido[3,2-d]pyrimidin-6-yl}-N-methylprop-2-enamide |
Formula | C30H33ClFN7O6 |
Mass | 642.078 |
Exact Mass | 641.2164877 |
Composition | C (56.12%), H (5.18%), Cl (5.52%), F (2.96%), N (15.27%), O (14.95%) |
Atom Count | 78 |
PI | 6.69 |
Smiles | O=C(N(c1nc2c(cc1OCCCO[C@]1(C)CC(=C(C1=O)O)NN1CCOCC1)ncnc2Nc1ccc(c(c1)Cl)F)C)C=C |
InChI | 1S/C30H33ClFN7O6/c1-4-24(40)38(3)29-23(15-21-25(36-29)28(34-17-33-21)35-18-6-7-20(32)19(31)14-18)44-
10-5-11-45-30(2)16-22(26(41)27(30)42)37-39-8-12-43-13-9-39/h4,6-7,14-15,17,37,41H,1,5,8-13,16H2,2-3H
3,(H,33,34,35)/t30-/m1/s1 |
InChIKey | GCWTVADGWZALNW-SSEXGKCCSA-N |
2D Structure | ![](./image/EGIN0000230.png) | Structure Backbone | ![](./frame/f_EGIN0000230.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 | 10753475 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL31630 |