| PDB CCD ID: | DU1 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C24 H30 F N5 O5 S |
| InChI: | InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28) |
| InChIKey: | KAJVJPLKXGLLDA-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C3N(CCCNC(=O)c1ccc(cc1)S(=O)(F)=O)c2nc(nc2C(N3CCC)=O)C4CCCCC4 | | CACTVS 3.385 | CCCN1C(=O)N(CCCNC(=O)c2ccc(cc2)[S](F)(=O)=O)c3nc([nH]c3C1=O)C4CCCCC4 | | OpenEye OEToolkits 2.0.6 | CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F |
|
| Name: | 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride |
| ChEMBL: | CHEMBL144360 |
| ZINC: | ZINC000036113832 |
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