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canSAR1015574
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NAMES
    SMILES
    Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCC1CN(c2cccc(C(=O)O)c2)CCO1
    InChI
    InChI=1S/C23H22ClN3O4S/c1-14-20(32-22(26-14)15-5-7-17(24)8-6-15)21(28)25-12-19-13-27(9-10-31-19)18-4-2-3-16(11-18)23(29)30/h2-8,11,19H,9-10,12-13H2,1H3,(H,25,28)(H,29,30)
    MOLECULAR FORMULA
    C23H22ClN3O4S
    CROSS REFERENCES
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    canSAR1015574

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.10
    AlogP 4.11
    HBond donors 2
    HBond acceptors 7
    Atoms 54
    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 canSAR1015574.