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canSAR1407773
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NAMES
    SMILES
    CC(C)C[C@H]1CNC(=S)N1CC1CCCN1C[C@H](CC(C)C)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S
    InChI
    InChI=1S/C33H55N5S2/c1-24(2)17-29-20-34-32(39)37(29)22-28-13-10-15-35(28)21-30(18-25(3)4)38-23-31(19-26(5)6)36(33(38)40)16-14-27-11-8-7-9-12-27/h7-9,11-12,24-26,28-31H,10,13-23H2,1-6H3,(H,34,39)/t28?,29-,30-,31-/m0/s1
    MOLECULAR FORMULA
    C33H55N5S2
    CROSS REFERENCES
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    canSAR1407773

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.39
    AlogP 6.03
    HBond donors 1
    HBond acceptors 5
    Atoms 95
    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 canSAR1407773.