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canSAR1018108
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NAMES
    SMILES
    COc1cc2ncnc(NNC(=S)NC(=O)c3ccccc3)c2cc1OC
    InChI
    InChI=1S/C18H17N5O3S/c1-25-14-8-12-13(9-15(14)26-2)19-10-20-16(12)22-23-18(27)21-17(24)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,20,22)(H2,21,23,24,27)
    MOLECULAR FORMULA
    C18H17N5O3S
    CROSS REFERENCES
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    canSAR1018108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.11
    AlogP 2.28
    HBond donors 3
    HBond acceptors 8
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1018108.