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

707282 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C134H203N31O52S4
InChI
InChI=1S/C134H203N31O52S4/c1-77(98(174)9-21-166)117-113(147-81(5)170)102(178)58-131(214-117,127(194)195)218-73-109(184)137-13-25-202-33-41-210-45-37-206-29-17-162-69-94(154-158-162)63-141-121(188)85-49-86(122(189)142-64-95-70-163(159-155-95)18-30-207-38-46-211-42-34-203-26-14-138-110(185)74-219-132(128(196)197)59-103(179)114(148-82(6)171)118(215-132)78(2)99(175)10-22-167)53-91(52-85)151-106(136)67-145-125(192)89-51-90(55-92(54-89)152-107(182)62-135)126(193)146-68-108(183)153-93-56-87(123(190)143-65-96-71-164(160-156-96)19-31-208-39-47-212-43-35-204-27-15-139-111(186)75-220-133(129(198)199)60-104(180)115(149-83(7)172)119(216-133)79(3)100(176)11-23-168)50-88(57-93)124(191)144-66-97-72-165(161-157-97)20-32-209-40-48-213-44-36-205-28-16-140-112(187)76-221-134(130(200)201)61-105(181)116(150-84(8)173)120(217-134)80(4)101(177)12-24-169/h49-57,69-72,77-80,98-105,113-120,166-169,174-181H,9-48,58-68,73-76,135H2,1-8H3,(H2,136,151)(H,137,184)(H,138,185)(H,139,186)(H,140,187)(H,141,188)(H,142,189)(H,143,190)(H,144,191)(H,145,192)(H,146,193)(H,147,170)(H,148,171)(H,149,172)(H,150,173)(H,152,182)(H,153,183)(H,194,195)(H,196,197)(H,198,199)(H,200,201)/t77-,78-,79-,80+,98?,99?,100?,101?,102+,103+,104+,105-,113-,114-,115-,116+,117+,118+,119+,120-,131+,132+,133+,134-/m0/s1
Smiles
CC(=O)N[C@H]1[C@H](O)C[C@@](SCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)c3cc(NC(=O)CNC(=O)c4cc(NC(=O)CN)cc(C(=O)NCC(=N)Nc5cc(C(=O)NCc6cn(CCOCCOCCOCCNC(=O)CS[C@@]7(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@@H](C)C(O)CCO)O7)nn6)cc(C(=O)NCc6cn(CCOCCOCCOCCNC(=O)CS[C@@]7(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@@H](C)C(O)CCO)O7)nn6)c5)c4)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
UniChem425340
canSAR707282
ChEMBLCHEMBL392744
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 3206.307619736-9.28652999999983683424No