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canSAR20011
FEATURES
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NAMES
    SMILES
    COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5C)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4
    InChI
    InChI=1S/C45H46N2O7/c1-27-9-7-8-10-33(27)45(48)54-37-16-13-29-22-36-42-31(18-20-47(36)3)25-41(50-5)43(51-6)44(42)53-40-26-34-30(24-38(40)49-4)17-19-46(2)35(34)21-28-11-14-32(15-12-28)52-39(37)23-29/h7-16,23-26,35-36H,17-22H2,1-6H3/t35-,36+/m0/s1
    MOLECULAR FORMULA
    C45H46N2O7
    CROSS REFERENCES
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    canSAR20011

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 726.33
    AlogP 8.68
    HBond donors 0
    HBond acceptors 9
    Atoms 100
    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 canSAR20011.