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canSAR1060949
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](n2cnc3c(NCCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C20H25N5O4/c26-10-14-16(27)17(28)20(29-14)25-12-24-15-18(22-11-23-19(15)25)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,26-28H,4-5,8-10H2,(H,21,22,23)/t14-,16-,17-,20-/m1/s1
    MOLECULAR FORMULA
    C20H25N5O4
    CROSS REFERENCES
    1060949 logo

    canSAR1060949

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.19
    AlogP 0.87
    HBond donors 4
    HBond acceptors 9
    Atoms 54
    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 canSAR1060949.