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canSAR1998777
FEATURES
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NAMES
    SMILES
    C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
    InChI
    InChI=1S/C21H24N6O4S/c1-5-9-27-16(11-31-14-8-6-7-13(2)10-14)23-24-20(27)32-12-15(28)17-18(22)25(3)21(30)26(4)19(17)29/h5-8,10H,1,9,11-12,22H2,2-4H3
    MOLECULAR FORMULA
    C21H24N6O4S
    CROSS REFERENCES
    1998777 logo

    canSAR1998777

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.16
    AlogP 1.31
    HBond donors 2
    HBond acceptors 10
    Atoms 56
    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 canSAR1998777.