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canSAR1145230
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NAMES
    SMILES
    CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)C1n1cc(-c2ccccc2)nn1
    InChI
    InChI=1S/C28H21N5O/c1-28(2)27(33-16-22(31-32-33)17-10-4-3-5-11-17)23-25-24(29-20-14-8-9-15-21(20)30-25)18-12-6-7-13-19(18)26(23)34-28/h3-16,27H,1-2H3
    MOLECULAR FORMULA
    C28H21N5O
    CROSS REFERENCES
    1145230 logo

    canSAR1145230

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.17
    AlogP 5.96
    HBond donors 0
    HBond acceptors 6
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145230.