canSAR627989
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)N2CCCCN(S(=O)(=O)c3ccc(C)cc3)Cc3ccccc3OCCOCCOc3c4cccc3Cc3cccc5c3OCCOCCOc3ccccc3CN(S(=O)(=O)c3ccc(C)cc3)CCCN(S(=O)(=O)c3ccc(C)cc3)Cc3ccccc3OCCOCCOc3c(cccc3C4)Cc3cccc(c3OCCOCCOc3ccccc3C2)C5)cc1
    InChI
    InChI=1S/C107H118N4O20S4/c1-80-36-44-96(45-37-80)132(112,113)108-52-13-14-53-109(133(114,115)97-46-38-81(2)39-47-97)77-93-21-6-10-33-101(93)125-65-57-121-61-69-129-105-86-26-16-27-87(105)75-91-31-18-29-89-73-85-25-15-24-84(104(85)128-68-60-120-56-64-124-100-32-9-5-20-92(100)76-108)72-88-28-17-30-90(74-86)106(88)130-70-62-122-58-66-126-102-34-11-7-22-94(102)78-110(134(116,117)98-48-40-82(3)41-49-98)54-19-55-111(135(118,119)99-50-42-83(4)43-51-99)79-95-23-8-12-35-103(95)127-67-59-123-63-71-131-107(89)91/h5-12,15-18,20-51H,13-14,19,52-79H2,1-4H3
    MOLECULAR FORMULA
    C107H118N4O20S4
    CROSS REFERENCES
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    canSAR627989
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1906.72
    AlogP17.46
    HBond donors0
    HBond acceptors24
    Atoms253
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR627989.