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canSAR2051660
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NAMES
    SMILES
    Cc1nc(N[C@@H](C)c2cccc(-c3ccc(NCCO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1
    InChI
    InChI=1S/C29H29N5O2/c1-18-17-36-27-9-7-23(14-25(18)27)26-15-29(34-20(3)33-26)32-19(2)21-5-4-6-22(13-21)24-8-10-28(31-16-24)30-11-12-35/h4-10,13-17,19,35H,11-12H2,1-3H3,(H,30,31)(H,32,33,34)/t19-/m0/s1
    MOLECULAR FORMULA
    C29H29N5O2
    CROSS REFERENCES
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    canSAR2051660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.23
    AlogP 6.15
    HBond donors 3
    HBond acceptors 7
    Atoms 65
    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 canSAR2051660.