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canSAR113273
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NAMES
    SMILES
    CC(C)N(C)C1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC#N)CCCCC4)cc3)cs2)CC1
    InChI
    InChI=1S/C28H38N6O2S/c1-20(2)33(3)23-11-17-34(18-12-23)27-31-24(19-37-27)21-7-9-22(10-8-21)25(35)32-28(13-5-4-6-14-28)26(36)30-16-15-29/h7-10,19-20,23H,4-6,11-14,16-18H2,1-3H3,(H,30,36)(H,32,35)
    MOLECULAR FORMULA
    C28H38N6O2S
    CROSS REFERENCES
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    canSAR113273

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.28
    AlogP 4.19
    HBond donors 2
    HBond acceptors 8
    Atoms 75
    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 canSAR113273.