General Property |
Molceule ID (DB) | EGIN0005029 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 2c |
IUPAC Name | N-[2-[4-[3-chloro-4-(3-chlorophenoxy)anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methyl-2-methylsulfonylpropanamide |
Formula | C25H25Cl2N5O4S |
Mass | 562.468 |
Exact Mass | 561.100430417 |
Composition | C (53.38%), H (4.48%), Cl (12.61%), N (12.45%), O (11.38%), S (5.7%) |
Atom Count | 62 |
PI | 9.98 |
Smiles | CC(C)(C(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC(=CC=C4)Cl)Cl)S(=O)(=O)C |
InChI | 1S/C25H25Cl2N5O4S/c1-25(2,37(3,34)35)24(33)28-10-12-32-11-9-20-22(32)23(30-15-29-20)31-17-7-8-21(19(
27)14-17)36-18-6-4-5-16(26)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,33)(H,29,30,31) |
InChIKey | UVBKNBPCVRBUTF-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005029.png) | Structure Backbone | ![](./frame/f_EGIN0005029.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 | 22980219 |
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 |
57496699
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |