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

979662 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C54H78N12O33
InChI
InChI=1S/C54H78N12O33/c67-10-22-28(73)31(76)40(85)52(94-22)97-43-25(13-70)91-49(37(82)34(43)79)64-7-19(58-61-64)4-55-46(88)16-1-17(47(89)56-5-20-8-65(62-59-20)50-38(83)35(80)44(26(14-71)92-50)98-53-41(86)32(77)29(74)23(11-68)95-53)3-18(2-16)48(90)57-6-21-9-66(63-60-21)51-39(84)36(81)45(27(15-72)93-51)99-54-42(87)33(78)30(75)24(12-69)96-54/h1-3,7-9,22-45,49-54,67-87H,4-6,10-15H2,(H,55,88)(H,56,89)(H,57,90)/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,49-,50-,51-,52+,53+,54+/m1/s1
Smiles
O=C(NCc1cn([C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1)c1cc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)c1
Cross References
UniChem1155411
canSAR979662
ChEMBLCHEMBL1818314
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1422.479422956-15.35912445177No