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canSAR1064169
FEATURES
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NAMES
    SMILES
    CO[C@H]1CCCC[C@@H]1NC(=O)c1cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccn2c1=O
    InChI
    InChI=1S/C29H33N5O3/c1-37-25-10-3-2-8-23(25)32-27(35)22-18-21(24-9-5-7-15-34(24)28(22)36)19-33-16-12-29(20-30,13-17-33)26-11-4-6-14-31-26/h4-7,9,11,14-15,18,23,25H,2-3,8,10,12-13,16-17,19H2,1H3,(H,32,35)/t23-,25-/m0/s1
    MOLECULAR FORMULA
    C29H33N5O3
    CROSS REFERENCES
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    canSAR1064169

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.26
    AlogP 3.44
    HBond donors 1
    HBond acceptors 8
    Atoms 70
    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 canSAR1064169.