canSAR1530235
FEATURES
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NAMES
    SMILES
    Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1cccnc1
    InChI
    InChI=1S/C20H19N5OS/c1-13-7-4-5-9-18(13)25-19(16-8-6-10-21-11-16)22-23-20(25)27-12-17-14(2)24-26-15(17)3/h4-11H,12H2,1-3H3
    MOLECULAR FORMULA
    C20H19N5OS
    CROSS REFERENCES
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    canSAR1530235
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight377.13
    AlogP4.53
    HBond donors0
    HBond acceptors6
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1530235.