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canSAR1443483
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NAMES
    SMILES
    COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)C(C(=O)NCC3CCCO3)c3ccco3)n2)cc1OC
    InChI
    InChI=1S/C29H31ClN6O6/c1-39-23-12-11-19(15-25(23)40-2)28-32-34-36(33-28)18-26(37)35(17-20-7-3-4-9-22(20)30)27(24-10-6-14-42-24)29(38)31-16-21-8-5-13-41-21/h3-4,6-7,9-12,14-15,21,27H,5,8,13,16-18H2,1-2H3,(H,31,38)
    MOLECULAR FORMULA
    C29H31ClN6O6
    CROSS REFERENCES
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    canSAR1443483

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.20
    AlogP 3.67
    HBond donors 1
    HBond acceptors 12
    Atoms 73
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1443483.