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canSAR2021478
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NAMES
    SMILES
    Oc1nc2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1)OCCO3
    InChI
    InChI=1S/C24H22N6O4S/c31-24-17(9-16-10-21-22(11-20(16)25-24)34-7-6-33-21)12-29(14-19-4-2-8-35-19)15-23-26-27-28-30(23)13-18-3-1-5-32-18/h1-5,8-11H,6-7,12-15H2,(H,25,31)
    MOLECULAR FORMULA
    C24H22N6O4S
    CROSS REFERENCES
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    canSAR2021478

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.14
    AlogP 3.60
    HBond donors 1
    HBond acceptors 10
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021478.