1766065 logo
canSAR1766065
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)O)c4n1[Fe@+2]31n3c(c(C)c(C=C)c3=[O+]2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C
    InChI
    InChI=1S/C33H32N4O5.Fe/c1-7-20-19(6)32-37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(36-26)42-32;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H3-,34,35,36,37,38,39,40,41);/q;+6/p-1/b24-13+,25-14-,26-13-,27-14-,28-15+,29-15-;
    MOLECULAR FORMULA
    C33H31FeN4O5+5
    CROSS REFERENCES
    1766065 logo

    canSAR1766065

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 619.16
    AlogP 3.48
    HBond donors 2
    HBond acceptors 9
    Atoms 74
    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 canSAR1766065.