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canSAR1719651
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NAMES
    SMILES
    CC1CN(Cc2csc(-c3ccc(Cl)cc3)n2)CC(C)O1.O=C(O)C(=O)O
    InChI
    InChI=1S/C16H19ClN2OS.C2H2O4/c1-11-7-19(8-12(2)20-11)9-15-10-21-16(18-15)13-3-5-14(17)6-4-13;3-1(4)2(5)6/h3-6,10-12H,7-9H2,1-2H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C18H21ClN2O5S
    CROSS REFERENCES
    1719651 logo

    canSAR1719651

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.09
    AlogP 3.23
    HBond donors 2
    HBond acceptors 7
    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 canSAR1719651.