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canSAR1999416
FEATURES
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NAMES
    SMILES
    CCc1cn(CCOC)c2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNC(C)(C)CCCC(C)C)cc12.O=CO
    InChI
    InChI=1S/C33H49N3O3.CH2O2/c1-7-26-23-36(18-19-39-6)30-16-15-27(21-28(26)30)32(38)35-29(20-25-13-9-8-10-14-25)31(37)22-34-33(4,5)17-11-12-24(2)3;2-1-3/h8-10,13-16,21,23-24,29,31,34,37H,7,11-12,17-20,22H2,1-6H3,(H,35,38);1H,(H,2,3)
    MOLECULAR FORMULA
    C34H51N3O5
    CROSS REFERENCES
    1999416 logo

    canSAR1999416

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 581.38
    AlogP 5.45
    HBond donors 4
    HBond acceptors 8
    Atoms 93
    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 canSAR1999416.