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canSAR1862913
FEATURES
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NAMES
    SMILES
    COc1cccc(CNC(=O)C2CCN(c3nnc(-n4c(C)ccc4C)s3)CC2)c1
    InChI
    InChI=1S/C22H27N5O2S/c1-15-7-8-16(2)27(15)22-25-24-21(30-22)26-11-9-18(10-12-26)20(28)23-14-17-5-4-6-19(13-17)29-3/h4-8,13,18H,9-12,14H2,1-3H3,(H,23,28)
    MOLECULAR FORMULA
    C22H27N5O2S
    CROSS REFERENCES
    1862913 logo

    canSAR1862913

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.19
    AlogP 3.49
    HBond donors 1
    HBond acceptors 7
    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 canSAR1862913.