PDB CCD ID: | ZZO |
Number of entries in BioLiP: | 1 |
Chemical formula: | C28 H22 F N7 O2 |
InChI: | InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) |
InChIKey: | TYLTZPAGUBOPCU-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.6.1 | Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6ccc(c(c6)F)O)c(ncn5)N | CACTVS 3.352 | Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4nc(c5ccc(O)c(F)c5)c6c(N)ncnc46 | ACDLabs 10.04 | Fc6c(O)ccc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)c6 |
|
Name: | 2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
ChEMBL: | CHEMBL1213085 |
ZINC: | ZINC000051768788 |