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canSAR561925
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](OCC1CCCCC1)[C@H](O)CO.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H32N4O7.C2HF3O2/c1-10(25)22-15-12(23-19(20)21)7-14(18(27)28)30-17(15)16(13(26)8-24)29-9-11-5-3-2-4-6-11;3-2(4,5)1(6)7/h7,11-13,15-17,24,26H,2-6,8-9H2,1H3,(H,22,25)(H,27,28)(H4,20,21,23);(H,6,7)/t12-,13+,15+,16+,17+;/m0./s1
    MOLECULAR FORMULA
    C21H33F3N4O9
    CROSS REFERENCES
    561925 logo

    canSAR561925

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.22
    AlogP -0.34
    HBond donors 9
    HBond acceptors 13
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR561925.