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canSAR1688523
FEATURES
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NAMES
    SMILES
    COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CC/C(C)=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1
    InChI
    InChI=1S/C37H45N3O6/c1-25-22-33-32(38-28(25)4)12-9-21-40(33)23-27(3)46-39-26(2)13-20-37(41)43-24-36-35(44-31-16-14-30(42-5)15-17-31)19-18-34(45-36)29-10-7-6-8-11-29/h6-8,10-11,14-19,22,27,34-36H,9,12-13,20-21,23-24H2,1-5H3/b39-26-/t27-,34-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C37H45N3O6
    CROSS REFERENCES
    1688523 logo

    canSAR1688523

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 627.33
    AlogP 6.71
    HBond donors 0
    HBond acceptors 9
    Atoms 91
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1688523.