General Property |
Molceule ID (DB) | EGIN0000690 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 8a compound |
IUPAC Name | (4R,4aS)-N-benzyl-4H,4aH-pyrido[2,3-d]pyrimidin-4-amine |
Formula | C14H14N4 |
Mass | 238.2878 |
Exact Mass | 238.1218465 |
Composition | C (70.57%), H (5.92%), N (23.51%) |
Atom Count | 32 |
PI | 11.14 |
Smiles | [C@H]12C(=NC=N[C@H]2NCc2ccccc2)N=CC=C1 |
InChI | 1S/C14H14N4/c1-2-5-11(6-3-1)9-16-14-12-7-4-8-15-13(12)17-10-18-14/h1-8,10,12,14,16H,9H2/t12-,14-/m1/
s1 |
InChIKey | RYPQSSPZGRXZPY-TZMCWYRMSA-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 | 8627606 |
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 | CHEMBL54383 |