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canSAR1982491
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](OC(=O)Nc3ccc(N(C)C)cc3)CC1)=NS2(=O)=O
    InChI
    InChI=1S/C30H34N4O5S/c1-34(2)23-14-12-22(13-15-23)32-29(35)39-24-16-18-30(19-17-24,21-8-5-4-6-9-21)20-31-28-27-25(38-3)10-7-11-26(27)40(36,37)33-28/h4-15,24H,16-20H2,1-3H3,(H,31,33)(H,32,35)/t24-,30-
    MOLECULAR FORMULA
    C30H34N4O5S
    CROSS REFERENCES
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    canSAR1982491

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.22
    AlogP 4.93
    HBond donors 2
    HBond acceptors 9
    Atoms 74
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1982491.