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canSAR1269991
FEATURES
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NAMES
    SMILES
    NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2cc(-c3ccc4c(N)n[nH]c4c3)cc(=O)[nH]2)CC1
    InChI
    InChI=1S/C28H32N6O2/c29-16-18-6-8-19(9-7-18)28(36)32-24(12-17-4-2-1-3-5-17)25-14-21(15-26(35)31-25)20-10-11-22-23(13-20)33-34-27(22)30/h1-5,10-11,13-15,18-19,24H,6-9,12,16,29H2,(H,31,35)(H,32,36)(H3,30,33,34)/t18-,19-,24?
    MOLECULAR FORMULA
    C28H32N6O2
    CROSS REFERENCES
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    canSAR1269991

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.26
    AlogP 3.67
    HBond donors 7
    HBond acceptors 8
    Atoms 68
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1269991.