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canSAR1595197
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NAMES
    SMILES
    CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)SCCN1C(=O)c2ccccc2C1=O
    InChI
    InChI=1S/C40H47N3O6S2/c1-6-24-23-41-13-11-25-19-34(46-2)36(48-4)21-30(25)32(41)17-27(24)18-33-31-22-37(49-5)35(47-3)20-26(31)12-14-42(33)40(50)51-16-15-43-38(44)28-9-7-8-10-29(28)39(43)45/h7-10,19-22,24,27,32-33H,6,11-18,23H2,1-5H3/t24-,27+,32-,33+/m0/s1
    MOLECULAR FORMULA
    C40H47N3O6S2
    CROSS REFERENCES
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    canSAR1595197

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 729.29
    AlogP 6.97
    HBond donors 0
    HBond acceptors 9
    Atoms 98
    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 canSAR1595197.