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canSAR1651596
FEATURES
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NAMES
    SMILES
    O=C(CSc1nc(O)c2c(-c3ccccc3)csc2n1)NC1CCCCC1
    InChI
    InChI=1S/C20H21N3O2S2/c24-16(21-14-9-5-2-6-10-14)12-27-20-22-18(25)17-15(11-26-19(17)23-20)13-7-3-1-4-8-13/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,21,24)(H,22,23,25)
    MOLECULAR FORMULA
    C20H21N3O2S2
    CROSS REFERENCES
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    canSAR1651596

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.11
    AlogP 4.60
    HBond donors 2
    HBond acceptors 5
    Atoms 48
    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 canSAR1651596.