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canSAR1494513
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NAMES
    SMILES
    O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCC(CCN2CCCC2)CC1
    InChI
    InChI=1S/C29H33N7O/c37-28(36-17-10-21(11-18-36)9-16-35-14-3-4-15-35)27-20-22-19-23(6-7-24(22)33-27)32-29-31-13-8-26(34-29)25-5-1-2-12-30-25/h1-2,5-8,12-13,19-21,33H,3-4,9-11,14-18H2,(H,31,32,34)
    MOLECULAR FORMULA
    C29H33N7O
    CROSS REFERENCES
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    canSAR1494513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.27
    AlogP 5.10
    HBond donors 2
    HBond acceptors 8
    Atoms 70
    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 canSAR1494513.