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canSAR1973400
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NAMES
    SMILES
    COCCN1CCC(c2nc(-c3ccncc3)c(-c3ccc4c(c3)CCC4N=O)[nH]2)CC1
    InChI
    InChI=1S/C25H29N5O2/c1-32-15-14-30-12-8-18(9-13-30)25-27-23(17-6-10-26-11-7-17)24(28-25)20-2-4-21-19(16-20)3-5-22(21)29-31/h2,4,6-7,10-11,16,18,22H,3,5,8-9,12-15H2,1H3,(H,27,28)
    MOLECULAR FORMULA
    C25H29N5O2
    CROSS REFERENCES
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    canSAR1973400

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.23
    AlogP 4.72
    HBond donors 1
    HBond acceptors 7
    Atoms 61
    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 canSAR1973400.