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canSAR1130365
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NAMES
    SMILES
    CC(C)Sc1nnc(-c2c(CN3CCCCC3C)c3ccccc3n2C)n1-c1ccccc1
    InChI
    InChI=1S/C27H33N5S/c1-19(2)33-27-29-28-26(32(27)21-13-6-5-7-14-21)25-23(18-31-17-11-10-12-20(31)3)22-15-8-9-16-24(22)30(25)4/h5-9,13-16,19-20H,10-12,17-18H2,1-4H3
    MOLECULAR FORMULA
    C27H33N5S
    CROSS REFERENCES
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    canSAR1130365

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.25
    AlogP 6.30
    HBond donors 0
    HBond acceptors 5
    Atoms 66
    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 canSAR1130365.