canSAR819107
FEATURES
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NAMES
    SMILES
    Nc1ncnc2c1nnn2[C@@H]1O[C@H](CSCCC(N)C(=O)O)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C13H19N7O5S/c14-5(13(23)24)1-2-26-3-6-8(21)9(22)12(25-6)20-11-7(18-19-20)10(15)16-4-17-11/h4-6,8-9,12,21-22H,1-3,14H2,(H,23,24)(H2,15,16,17)/t5?,6-,8-,9-,12-/m1/s1
    MOLECULAR FORMULA
    C13H19N7O5S
    CROSS REFERENCES
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    canSAR819107
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight385.12
    AlogP-2.04
    HBond donors7
    HBond acceptors12
    Atoms45
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819107.