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canSAR93385
FEATURES
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NAMES
    SMILES
    CCONC(=O)CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C21H25N5O5/c1-3-30-25-15(27)9-22-19-16-14(13-7-5-4-6-8-13)10-26(20(16)24-11-23-19)21-18(29)17(28)12(2)31-21/h4-8,10-12,17-18,21,28-29H,3,9H2,1-2H3,(H,25,27)(H,22,23,24)/t12-,17-,18-,21-/m1/s1
    MOLECULAR FORMULA
    C21H25N5O5
    CROSS REFERENCES
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    canSAR93385

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.19
    AlogP 1.22
    HBond donors 4
    HBond acceptors 10
    Atoms 56
    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 canSAR93385.