General Property |
Molceule ID (DB) | EGIN0003254 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 1l compound |
IUPAC Name | (3-{4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}phenyl)methanol |
Formula | C19H16N4O |
Mass | 316.3565 |
Exact Mass | 316.1324112 |
Composition | C (72.13%), H (5.1%), N (17.71%), O (5.06%) |
Atom Count | 40 |
PI | 11.06 |
Smiles | n1cnc2c(c1N)c(cn2c1cccc(c1)CO)c1ccccc1 |
InChI | 1S/C19H16N4O/c20-18-17-16(14-6-2-1-3-7-14)10-23(19(17)22-12-21-18)15-8-4-5-13(9-15)11-24/h1-10,12,24
H,11H2,(H2,20,21,22) |
InChIKey | YHRRFPHKXXYHDL-UHFFFAOYSA-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 | 10853665 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | v-Abl | CDC2 | c-Src | ALL |
Pub Chem Link |
44384547
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL173478 |