PDB CCD ID: | 4NR |
Number of entries in BioLiP: | 4 |
Chemical formula: | C12 H10 F N5 |
InChI: | InChI=1S/C12H10FN5/c13-7-3-1-6(2-4-7)8-5-16-11-9(8)10(14)17-12(15)18-11/h1-5H,(H5,14,15,16,17,18) |
InChIKey: | SVEXZYXFUHRTHZ-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | Nc1[nH]c2ncc(c3ccc(F)cc3)c2c(N)n1 | ACDLabs 12.01 | Fc3ccc(C1=CN=C2C1=C(N=C(N)N2)N)cc3 | OpenEye OEToolkits 1.9.2 | c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F |
|
Name: | 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
ChEMBL: | CHEMBL3318802 |
ZINC: | ZINC000222800399 |