canSAR1819369
FEATURES
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NAMES
    SMILES
    COC(=O)CCc1c(C)c2n3c1C=c1c(CCC(=O)OC)c(C)c4n1[Zn]31N3C(=C2)CC(C)C3=Cc2cc(C)c(n21)C=4
    InChI
    InChI=1S/C32H34N4O4.Zn/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h12-17H,7-11H2,1-6H3;/q-4;+4
    MOLECULAR FORMULA
    C32H34N4O4Zn
    CROSS REFERENCES
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    canSAR1819369
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight602.19
    AlogP3.32
    HBond donors0
    HBond acceptors8
    Atoms75
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1819369.