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canSAR497879
FEATURES
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NAMES
    SMILES
    CCc1c(C)nc(O)c(NC(=O)CCCCCCCCC(=O)NCCCCNC(=O)CCOCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N=[N+]=[N-])c1Cc1cc(C)cc(C)c1
    InChI
    InChI=1S/C44H63N9O8/c1-6-33-31(5)48-43(58)41(34(33)24-32-22-28(2)21-29(3)23-32)49-39(56)16-12-10-8-7-9-11-15-37(54)46-18-13-14-19-47-38(55)17-20-60-27-36-35(51-52-45)25-40(61-36)53-26-30(4)42(57)50-44(53)59/h21-23,26,35-36,40H,6-20,24-25,27H2,1-5H3,(H,46,54)(H,47,55)(H,48,58)(H,49,56)(H,50,57,59)
    MOLECULAR FORMULA
    C44H63N9O8
    CROSS REFERENCES
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    canSAR497879

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 845.48
    AlogP 6.17
    HBond donors 5
    HBond acceptors 17
    Atoms 124
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR497879.