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canSAR1018496
FEATURES
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NAMES
    SMILES
    Nc1ccc(C#Cc2c3ccccc3c(C#Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)[nH]c3=O)c3ccccc23)cc1
    InChI
    InChI=1S/C33H25N3O5/c34-22-13-9-20(10-14-22)11-15-27-23-5-1-3-7-25(23)28(26-8-4-2-6-24(26)27)16-12-21-18-36(33(40)35-32(21)39)31-17-29(38)30(19-37)41-31/h1-10,13-14,18,29-31,37-38H,17,19,34H2,(H,35,39,40)/t29-,30+,31+/m0/s1
    MOLECULAR FORMULA
    C33H25N3O5
    CROSS REFERENCES
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    canSAR1018496

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.18
    AlogP 2.87
    HBond donors 5
    HBond acceptors 8
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1018496.