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canSAR550378
FEATURES
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NAMES
    SMILES
    CCCC(C)Nc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)n1
    InChI
    InChI=1S/C27H35N5O/c1-5-9-20(3)29-27-30-21(4)16-25(32-27)31-24(17-22-10-7-6-8-11-22)26(33)28-18-23-14-12-19(2)13-15-23/h6-8,10-16,20,24H,5,9,17-18H2,1-4H3,(H,28,33)(H2,29,30,31,32)/t20?,24-/m0/s1
    MOLECULAR FORMULA
    C27H35N5O
    CROSS REFERENCES
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    canSAR550378

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.28
    AlogP 5.03
    HBond donors 3
    HBond acceptors 6
    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 canSAR550378.