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canSAR1142514
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NAMES
    SMILES
    COc1ccc2c(c1)CCc1c(-c3ccc(OCCCCCC(=O)NN)cc3)nc(N)nc1-2
    InChI
    InChI=1S/C25H29N5O3/c1-32-19-11-13-20-17(15-19)8-12-21-23(28-25(26)29-24(20)21)16-6-9-18(10-7-16)33-14-4-2-3-5-22(31)30-27/h6-7,9-11,13,15H,2-5,8,12,14,27H2,1H3,(H,30,31)(H2,26,28,29)
    MOLECULAR FORMULA
    C25H29N5O3
    CROSS REFERENCES
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    canSAR1142514

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.23
    AlogP 3.43
    HBond donors 5
    HBond acceptors 8
    Atoms 62
    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 canSAR1142514.