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canSAR1014521
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NAMES
    SMILES
    N#Cc1ccc2cccc(NC(=O)[C@]3(O)CC[C@@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1
    InChI
    InChI=1S/C25H25N5O4/c26-13-18-5-4-16-2-1-3-20(23(16)29-18)30-24(31)25(32)8-6-17(7-9-25)27-14-19-12-21-22(15-28-19)34-11-10-33-21/h1-5,12,15,17,27,32H,6-11,14H2,(H,30,31)/t17-,25+
    MOLECULAR FORMULA
    C25H25N5O4
    CROSS REFERENCES
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    canSAR1014521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.19
    AlogP 2.67
    HBond donors 3
    HBond acceptors 9
    Atoms 59
    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 canSAR1014521.