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canSAR1522674
FEATURES
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NAMES
    SMILES
    CCOc1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)ccc1O
    InChI
    InChI=1S/C28H30N6O4S/c1-2-38-23-16-20(12-14-22(23)35)18-26(37)30-28-34-33-27(39-28)11-7-6-10-21-13-15-24(32-31-21)29-25(36)17-19-8-4-3-5-9-19/h3-5,8-9,12-16,35H,2,6-7,10-11,17-18H2,1H3,(H,29,32,36)(H,30,34,37)
    MOLECULAR FORMULA
    C28H30N6O4S
    CROSS REFERENCES
    1522674 logo

    canSAR1522674

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.20
    AlogP 4.36
    HBond donors 3
    HBond acceptors 10
    Atoms 69
    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 canSAR1522674.