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canSAR1085140
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NAMES
    SMILES
    Cc1nc(-c2cccc(C#N)c2)ccc1C(=O)N(C)c1ccc(CN2CCN[C@@H](C)C2)cc1
    InChI
    InChI=1S/C27H29N5O/c1-19-17-32(14-13-29-19)18-21-7-9-24(10-8-21)31(3)27(33)25-11-12-26(30-20(25)2)23-6-4-5-22(15-23)16-28/h4-12,15,19,29H,13-14,17-18H2,1-3H3/t19-/m0/s1
    MOLECULAR FORMULA
    C27H29N5O
    CROSS REFERENCES
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    canSAR1085140

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.24
    AlogP 4.00
    HBond donors 1
    HBond acceptors 6
    Atoms 62
    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 canSAR1085140.