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canSAR1144633
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NAMES
    SMILES
    O=C(Nc1cnccc1N1CCNCC1)c1csc(N2Cc3ccccc3C2=O)n1
    InChI
    InChI=1S/C21H20N6O2S/c28-19(24-16-11-23-6-5-18(16)26-9-7-22-8-10-26)17-13-30-21(25-17)27-12-14-3-1-2-4-15(14)20(27)29/h1-6,11,13,22H,7-10,12H2,(H,24,28)
    MOLECULAR FORMULA
    C21H20N6O2S
    CROSS REFERENCES
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    canSAR1144633

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.14
    AlogP 2.36
    HBond donors 2
    HBond acceptors 8
    Atoms 50
    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 canSAR1144633.