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canSAR831688
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(C#N)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C28H24N2O7/c1-33-22-7-15(8-23(34-2)27(22)31)24-17-9-20-21(37-13-36-20)10-18(17)26(19-12-35-28(32)25(19)24)30-16-5-3-14(11-29)4-6-16/h3-10,19,24-26,30-31H,12-13H2,1-2H3/t19-,24+,25-,26+/m0/s1
    MOLECULAR FORMULA
    C28H24N2O7
    CROSS REFERENCES
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    canSAR831688

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.16
    AlogP 4.10
    HBond donors 2
    HBond acceptors 9
    Atoms 61
    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 canSAR831688.