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canSAR1060774
FEATURES
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NAMES
    SMILES
    Nc1nc(C#CCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C20H21N5O4/c21-18-15-19(25(11-22-15)20-17(28)16(27)13(10-26)29-20)24-14(23-18)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,11,13,16-17,20,26-28H,4,8,10H2,(H2,21,23,24)/t13-,16-,17-,20-/m1/s1
    MOLECULAR FORMULA
    C20H21N5O4
    CROSS REFERENCES
    1060774 logo

    canSAR1060774

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.16
    AlogP 0.00
    HBond donors 5
    HBond acceptors 9
    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 canSAR1060774.