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canSAR673291
FEATURES
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NAMES
    SMILES
    CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#CCCCC#N)nc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C18H21N7O4/c1-2-21-17(28)14-12(26)13(27)18(29-14)25-9-22-11-15(20)23-10(24-16(11)25)7-5-3-4-6-8-19/h9,12-14,18,26-27H,2-4,6H2,1H3,(H,21,28)(H2,20,23,24)/t12-,13+,14-,18?/m0/s1
    MOLECULAR FORMULA
    C18H21N7O4
    CROSS REFERENCES
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    canSAR673291

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.17
    AlogP -0.79
    HBond donors 5
    HBond acceptors 11
    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 canSAR673291.