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

169206 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C93H125Cl2N3O41
InChI
InChI=1S/C93H125Cl2N3O41/c1-41-30-50(99)31-52(100)60(41)81(107)128-56-39-122-93(79-72(56)120-40-121-79)136-57-38-117-83(66(104)71(57)137-93)134-84-74(115-14)65(103)70(55(129-84)37-112-11)132-86-90(9,111)78(69(113-12)44(4)126-86)133-85-75(105)91(10)77(47(7)125-85)138-92(139-91)33-53(101)67(45(5)135-92)130-58-32-54(68(43(3)123-58)131-82(108)61-42(2)62(94)64(102)63(95)73(61)114-13)127-59-34-89(8,76(116-15)46(6)124-59)98-80(106)51(97-88(110)119-36-49-26-20-17-21-27-49)28-22-23-29-96-87(109)118-35-48-24-18-16-19-25-48/h16-21,24-27,30-31,43-47,51,53-59,65-72,74-79,83-86,99-105,111H,22-23,28-29,32-40H2,1-15H3,(H,96,109)(H,97,110)(H,98,106)/t43-,44-,45-,46+,47-,51-,53-,54-,55-,56-,57+,58+,59+,65+,66-,67-,68-,69+,70-,71-,72+,74+,75-,76+,77-,78+,79-,83+,84+,85+,86+,89+,90-,91-,92-,93-/m1/s1
Smiles
COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2O)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H]3O[C@]4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)(NC(=O)[C@@H](CCCCNC(=O)OCc7ccccc7)NC(=O)OCc7ccccc7)[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@]3(C)[C@@H]2O)[C@@]1(C)O
Cross References
UniChem575833
canSAR169206
ChEMBLCHEMBL437594
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 2009.716555784.883441144264No


Compounds with the same scaffold


Image of compound ID: 169206
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

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