canSAR1632234
FEATURES
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NAMES
    SMILES
    CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C)c4n1[Fe+3]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2
    InChI
    InChI=1S/C32H34N4O4.Fe/c1-15-17(3)25-12-27-19(5)21(7-9-31(37)38)29(35-27)14-30-22(8-10-32(39)40)20(6)28(36-30)13-26-18(4)16(2)24(34-26)11-23(15)33-25;/h11-14H,7-10H2,1-6H3,(H4,33,34,35,36,37,38,39,40);/q;+7/p-2/b23-11-,24-11?,25-12-,26-13-,27-12?,28-13?,29-14-,30-14?;
    MOLECULAR FORMULA
    C32H32FeN4O4+5
    CROSS REFERENCES
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    canSAR1632234
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight592.17
    AlogP3.19
    HBond donors2
    HBond acceptors8
    Atoms73
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632234.