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canSAR1998268
FEATURES
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NAMES
    SMILES
    C=CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)N1CCOCC1
    InChI
    InChI=1S/C21H27N5O3S/c1-4-7-26-18(13-19(27)22-17-6-5-15(2)12-16(17)3)23-24-21(26)30-14-20(28)25-8-10-29-11-9-25/h4-6,12H,1,7-11,13-14H2,2-3H3,(H,22,27)
    MOLECULAR FORMULA
    C21H27N5O3S
    CROSS REFERENCES
    1998268 logo

    canSAR1998268

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.18
    AlogP 2.21
    HBond donors 1
    HBond acceptors 8
    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 canSAR1998268.