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canSAR2092480
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NAMES
    SMILES
    O=c1nc(OCC2COc3ncccc3O2)cc2n1CCc1cc(C#CC3(O)CCCC3)ccc1-2
    InChI
    InChI=1S/C27H25N3O5/c31-26-29-24(33-16-20-17-34-25-23(35-20)4-3-12-28-25)15-22-21-6-5-18(14-19(21)8-13-30(22)26)7-11-27(32)9-1-2-10-27/h3-6,12,14-15,20,32H,1-2,8-10,13,16-17H2
    MOLECULAR FORMULA
    C27H25N3O5
    CROSS REFERENCES
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    canSAR2092480

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.18
    AlogP 2.74
    HBond donors 1
    HBond acceptors 8
    Atoms 60
    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 canSAR2092480.