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canSAR1407013
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NAMES
    SMILES
    O=C(c1nn(C2CCCNCC2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1
    InChI
    InChI=1S/C21H26N4O4S/c26-21(24-10-12-29-13-11-24)19-17-14-30(27,28)18-6-2-1-5-16(18)20(17)25(23-19)15-4-3-8-22-9-7-15/h1-2,5-6,15,22H,3-4,7-14H2
    MOLECULAR FORMULA
    C21H26N4O4S
    CROSS REFERENCES
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    canSAR1407013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.17
    AlogP 1.62
    HBond donors 1
    HBond acceptors 8
    Atoms 56
    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 canSAR1407013.