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canSAR1130999
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NAMES
    SMILES
    O[C@H]1CC[C@H](Nc2nccc(-c3c[nH]c4ccccc34)n2)CC1
    InChI
    InChI=1S/C18H20N4O/c23-13-7-5-12(6-8-13)21-18-19-10-9-17(22-18)15-11-20-16-4-2-1-3-14(15)16/h1-4,9-13,20,23H,5-8H2,(H,19,21,22)/t12-,13-
    MOLECULAR FORMULA
    C18H20N4O
    CROSS REFERENCES
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    canSAR1130999

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 308.16
    AlogP 3.34
    HBond donors 3
    HBond acceptors 5
    Atoms 43
    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 canSAR1130999.