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canSAR1688679
FEATURES
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NAMES
    SMILES
    CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2cscn2)c1
    InChI
    InChI=1S/C33H28N4O3S/c1-33(2)29(30(33)32(38)39)31-36-26-15-24(40-17-23-11-10-21-7-3-4-9-25(21)35-23)12-13-28(26)37(31)16-20-6-5-8-22(14-20)27-18-41-19-34-27/h3-15,18-19,29-30H,16-17H2,1-2H3,(H,38,39)/t29-,30+/m0/s1
    MOLECULAR FORMULA
    C33H28N4O3S
    CROSS REFERENCES
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    canSAR1688679

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.19
    AlogP 7.16
    HBond donors 1
    HBond acceptors 7
    Atoms 69
    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 canSAR1688679.