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canSAR1535036
FEATURES
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NAMES
    SMILES
    C=Cc1c(C)c2n3c1C=c1c(C)c(C)c4n1[Fe]31n3c(c(C)c(CCC(=O)O)c3C=4)C=c3c(C)c(C=C)c(n31)=C2
    InChI
    InChI=1S/C32H30N4O2.Fe/c1-8-21-18(5)26-12-27-20(7)23(10-11-32(37)38)31(36-27)14-25-17(4)16(3)24(33-25)13-29-22(9-2)19(6)28(35-29)15-30(21)34-26;/h8-9,12-15H,1-2,10-11H2,3-7H3,(H,37,38);/q-4;+4/b24-13?,25-14?,26-12?,27-12-,28-15-,29-13-,30-15?,31-14-;
    MOLECULAR FORMULA
    C32H30FeN4O2
    CROSS REFERENCES
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    canSAR1535036

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.17
    AlogP 2.61
    HBond donors 1
    HBond acceptors 6
    Atoms 69
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1535036.