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

727031 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C62H98N14O25S2
InChI
InChI=1S/C62H98N14O25S2/c1-37(46(81)5-11-77)55-53(68-39(3)79)48(83)28-61(100-55,59(90)91)102-35-51(86)64-7-13-94-17-21-98-23-19-96-15-9-75-33-44(71-73-75)31-66-57(88)41-25-42(27-43(26-41)70-50(85)30-63)58(89)67-32-45-34-76(74-72-45)10-16-97-20-24-99-22-18-95-14-8-65-52(87)36-103-62(60(92)93)29-49(84)54(69-40(4)80)56(101-62)38(2)47(82)6-12-78/h25-27,33-34,37-38,46-49,53-56,77-78,81-84H,5-24,28-32,35-36,63H2,1-4H3,(H,64,86)(H,65,87)(H,66,88)(H,67,89)(H,68,79)(H,69,80)(H,70,85)(H,90,91)(H,92,93)/t37-,38+,46?,47?,48+,49-,53-,54+,55+,56-,61+,62-
Smiles
CC(=O)N[C@H]1[C@H](O)C[C@@](SCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)c3cc(NC(=O)CN)cc(C(=O)NCc4cn(CCOCCOCCOCCNC(=O)CS[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](C)C(O)CCO)O5)nn4)c3)nn2)(C(=O)O)O[C@@H]1[C@@H](C)C(O)CCO
Cross References
UniChem36612
canSAR727031
ChEMBLCHEMBL233388
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 1502.626896636-4.94521739201No