PDB CCD ID: | O1T | ||||||||||
Number of entries in BioLiP: | 1 | ||||||||||
Chemical formula: | C20 H24 Cl F N4 O9 P2 | ||||||||||
InChI: | InChI=1S/C20H24ClFN4O9P2/c1-10(11-2-4-12(22)5-3-11)24-14-6-16(21)25-19-13(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1 | ||||||||||
InChIKey: | ZOJVDXWVVGFWSE-KCVUFLITSA-N | ||||||||||
SMILES: |
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Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | ||||||||||
ChEMBL: | CHEMBL4761506 |