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canSAR1149618
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NAMES
    SMILES
    CN(C)CCCN1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O
    InChI
    InChI=1S/C21H22N4O2S2/c1-24(2)8-3-9-25-12-14-10-13(4-6-16(14)20(25)27)18-7-5-15(29-18)11-17-19(26)23-21(28)22-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,22,23,26,28)/b17-11+
    MOLECULAR FORMULA
    C21H22N4O2S2
    CROSS REFERENCES
    1149618 logo

    canSAR1149618

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.12
    AlogP 2.67
    HBond donors 2
    HBond acceptors 6
    Atoms 51
    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 canSAR1149618.