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canSAR1142098
FEATURES
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NAMES
    SMILES
    CC1=C(c2ccc(OCCCN3CCOCC3)cc2)SC2=NCc3ccccc3CN21
    InChI
    InChI=1S/C25H29N3O2S/c1-19-24(31-25-26-17-21-5-2-3-6-22(21)18-28(19)25)20-7-9-23(10-8-20)30-14-4-11-27-12-15-29-16-13-27/h2-3,5-10H,4,11-18H2,1H3
    MOLECULAR FORMULA
    C25H29N3O2S
    CROSS REFERENCES
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    canSAR1142098

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.20
    AlogP 4.59
    HBond donors 0
    HBond acceptors 5
    Atoms 60
    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 canSAR1142098.