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canSAR1016307
FEATURES
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NAMES
    SMILES
    CCCC(=O)NCCCc1nc(-c2nc(C)cs2)c(-c2ccc3c(c2)OCO3)[nH]1
    InChI
    InChI=1S/C21H24N4O3S/c1-3-5-18(26)22-9-4-6-17-24-19(20(25-17)21-23-13(2)11-29-21)14-7-8-15-16(10-14)28-12-27-15/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,22,26)(H,24,25)
    MOLECULAR FORMULA
    C21H24N4O3S
    CROSS REFERENCES
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    canSAR1016307

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.16
    AlogP 4.09
    HBond donors 2
    HBond acceptors 7
    Atoms 53
    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 canSAR1016307.