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canSAR142942
FEATURES
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NAMES
    SMILES
    COc1ccc([C@H](CC(=O)O)N2CCN(CCCc3ccc4c(n3)N[C@H](C)CC4)C2=O)cn1
    InChI
    InChI=1S/C24H31N5O4/c1-16-5-6-17-7-9-19(27-23(17)26-16)4-3-11-28-12-13-29(24(28)32)20(14-22(30)31)18-8-10-21(33-2)25-15-18/h7-10,15-16,20H,3-6,11-14H2,1-2H3,(H,26,27)(H,30,31)/t16-,20+/m1/s1
    MOLECULAR FORMULA
    C24H31N5O4
    CROSS REFERENCES
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    canSAR142942

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.24
    AlogP 3.12
    HBond donors 2
    HBond acceptors 9
    Atoms 64
    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 canSAR142942.