Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

1053614 - Overview - Compound Synopsis

Synonyms
TAFLUPOSIDETafluposide
Molecular Formula
C45H35F10O20P
InChI
InChI=1S/C45H35F10O20P/c1-13-64-9-22-39(70-13)42(72-23(56)10-65-40-33(52)29(48)27(46)30(49)34(40)53)43(73-24(57)11-66-41-35(54)31(50)28(47)32(51)36(41)55)45(71-22)74-37-16-7-19-18(68-12-69-19)6-15(16)25(26-17(37)8-67-44(26)58)14-4-20(62-2)38(21(5-14)63-3)75-76(59,60)61/h4-7,13,17,22,25-26,37,39,42-43,45H,8-12H2,1-3H3,(H2,59,60,61)/t13-,17?,22-,25-,26?,37-,39-,42+,43-,45+/m1/s1
Smiles
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](OC(=O)COc5c(F)c(F)c(F)c(F)c5F)[C@H]3OC(=O)COc3c(F)c(F)c(F)c(F)c3F)C3COC(=O)C32)OCO4)cc(OC)c1OP(=O)(O)O
Cross References
UniChem27291450
canSAR1053614
ChEMBLCHEMBL2103895
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1116.129962355.7553220111No