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canSAR1129799
FEATURES
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NAMES
    SMILES
    COc1ccc(OC)c(CCC(=O)NCCCN(CCCCCCCCCCCCN(CCCNC(=O)CCc2cc(OC)ccc2OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
    InChI
    InChI=1S/C50H82N4O10/c1-49(2,3)63-47(57)53(35-21-31-51-45(55)29-23-39-37-41(59-7)25-27-43(39)61-9)33-19-17-15-13-11-12-14-16-18-20-34-54(48(58)64-50(4,5)6)36-22-32-52-46(56)30-24-40-38-42(60-8)26-28-44(40)62-10/h25-28,37-38H,11-24,29-36H2,1-10H3,(H,51,55)(H,52,56)
    MOLECULAR FORMULA
    C50H82N4O10
    CROSS REFERENCES
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    canSAR1129799

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 898.60
    AlogP 9.67
    HBond donors 2
    HBond acceptors 14
    Atoms 146
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1129799.