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canSAR1957657
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NAMES
    SMILES
    CC(=O)OCCN(CCCn1c(-c2ccncc2)nc2ccccc21)c1nc(CN2CCCCC2)cs1
    InChI
    InChI=1S/C28H34N6O2S/c1-22(35)36-19-18-33(28-30-24(21-37-28)20-32-14-5-2-6-15-32)16-7-17-34-26-9-4-3-8-25(26)31-27(34)23-10-12-29-13-11-23/h3-4,8-13,21H,2,5-7,14-20H2,1H3
    MOLECULAR FORMULA
    C28H34N6O2S
    CROSS REFERENCES
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    canSAR1957657

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.25
    AlogP 5.00
    HBond donors 0
    HBond acceptors 8
    Atoms 71
    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 canSAR1957657.