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canSAR12699
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NAMES
    SMILES
    O=C(Nc1ccc2[nH]c3c(c2c1)CCNC3=O)NC12CC3CC(CC(C3)C1)C2
    InChI
    InChI=1S/C22H26N4O2/c27-20-19-16(3-4-23-20)17-8-15(1-2-18(17)25-19)24-21(28)26-22-9-12-5-13(10-22)7-14(6-12)11-22/h1-2,8,12-14,25H,3-7,9-11H2,(H,23,27)(H2,24,26,28)
    MOLECULAR FORMULA
    C22H26N4O2
    CROSS REFERENCES
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    canSAR12699

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.21
    AlogP 3.54
    HBond donors 4
    HBond acceptors 6
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR12699.