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canSAR1121012
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NAMES
    SMILES
    Cc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5c(nc6ccccc46)CCCC5)CC3)ccc12
    InChI
    InChI=1S/C32H36N4O4/c1-22-19-31(38)40-29-20-23(11-12-24(22)29)39-18-6-13-35-14-16-36(17-15-35)21-30(37)34-32-25-7-2-4-9-27(25)33-28-10-5-3-8-26(28)32/h2,4,7,9,11-12,19-20H,3,5-6,8,10,13-18,21H2,1H3,(H,33,34,37)
    MOLECULAR FORMULA
    C32H36N4O4
    CROSS REFERENCES
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    canSAR1121012

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.27
    AlogP 4.55
    HBond donors 1
    HBond acceptors 8
    Atoms 76
    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 canSAR1121012.