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canSAR1155428
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCC(=O)O[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c4nc5ccccc5nc4c2)[C@H]2C(=O)OC[C@H]12)OCO3
    InChI
    InChI=1S/C37H40N2O7/c1-3-4-5-6-7-8-9-10-15-32(40)46-36-24-19-30-29(44-21-45-30)18-23(24)33(34-25(36)20-43-37(34)41)22-16-28-35(31(17-22)42-2)39-27-14-12-11-13-26(27)38-28/h11-14,16-19,25,33-34,36H,3-10,15,20-21H2,1-2H3/t25-,33+,34-,36+/m0/s1
    MOLECULAR FORMULA
    C37H40N2O7
    CROSS REFERENCES
    1155428 logo

    canSAR1155428

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.28
    AlogP 7.57
    HBond donors 0
    HBond acceptors 9
    Atoms 86
    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 canSAR1155428.