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canSAR654049
FEATURES
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NAMES
    SMILES
    CCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1
    InChI
    InChI=1S/C29H39N5O4S/c1-5-16-30-28(39)34-19-17-33(18-20-34)27(37)24(14-15-25(35)38-29(2,3)4)32-26(36)23-13-9-12-22(31-23)21-10-7-6-8-11-21/h6-13,24H,5,14-20H2,1-4H3,(H,30,39)(H,32,36)/t24-/m0/s1
    MOLECULAR FORMULA
    C29H39N5O4S
    CROSS REFERENCES
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    canSAR654049

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.27
    AlogP 3.40
    HBond donors 2
    HBond acceptors 9
    Atoms 78
    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 canSAR654049.