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canSAR1107401
FEATURES
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NAMES
    SMILES
    O=C(CCNCCN1CCNC1=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
    InChI
    InChI=1S/C33H33N5O5S/c39-26-20-29(37-16-18-42-19-17-37)43-31-21(5-3-6-23(26)31)22-8-9-25(30-24-4-1-2-7-27(24)44-32(22)30)36-28(40)10-11-34-12-14-38-15-13-35-33(38)41/h1-9,20,34H,10-19H2,(H,35,41)(H,36,40)
    MOLECULAR FORMULA
    C33H33N5O5S
    CROSS REFERENCES
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    canSAR1107401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 611.22
    AlogP 4.61
    HBond donors 3
    HBond acceptors 10
    Atoms 77
    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 canSAR1107401.