canSAR1428760
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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    canSAR1428760
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight558.17
    AlogP2.61
    HBond donors1
    HBond acceptors6
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1428760.