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canSAR1620522
FEATURES
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NAMES
    SMILES
    CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4ccco4)C(=O)N23)cc1
    InChI
    InChI=1S/C29H29N5O4S/c1-18(2)19-9-11-20(12-10-19)31-26(36)17-39-29-33-23-8-4-3-7-22(23)27-32-24(28(37)34(27)29)13-14-25(35)30-16-21-6-5-15-38-21/h3-12,15,18,24H,13-14,16-17H2,1-2H3,(H,30,35)(H,31,36)
    MOLECULAR FORMULA
    C29H29N5O4S
    CROSS REFERENCES
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    canSAR1620522

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.19
    AlogP 4.83
    HBond donors 2
    HBond acceptors 9
    Atoms 68
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620522.