1980009 logo
canSAR1980009
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(O)Cc1cccc(CC(=O)Nc2nnc(CCCCC(=N)CCC(=N)NC(=O)Cc3ccccc3)s2)c1
    InChI
    InChI=1S/C30H38N6O3S/c1-30(2,39)20-23-12-8-11-22(17-23)19-27(38)34-29-36-35-28(40-29)14-7-6-13-24(31)15-16-25(32)33-26(37)18-21-9-4-3-5-10-21/h3-5,8-12,17,31,39H,6-7,13-16,18-20H2,1-2H3,(H2,32,33,37)(H,34,36,38)
    MOLECULAR FORMULA
    C30H38N6O3S
    CROSS REFERENCES
    1980009 logo

    canSAR1980009

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.27
    AlogP 4.88
    HBond donors 5
    HBond acceptors 9
    Atoms 78
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1980009.