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canSAR1066607
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](OC(=O)NCCCNC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](O)CO
    InChI
    InChI=1S/C25H34N6O11/c1-12(33)30-20-14(31-24(26)27)10-18(23(38)39)41-22(20)21(17(36)11-32)42-25(40)29-8-2-7-28-19(37)6-4-13-3-5-15(34)16(35)9-13/h3-6,9-10,14,17,20-22,32,34-36H,2,7-8,11H2,1H3,(H,28,37)(H,29,40)(H,30,33)(H,38,39)(H4,26,27,31)/b6-4+/t14-,17+,20+,21+,22+/m0/s1
    MOLECULAR FORMULA
    C25H34N6O11
    CROSS REFERENCES
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    canSAR1066607

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.23
    AlogP -2.21
    HBond donors 12
    HBond acceptors 17
    Atoms 76
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1066607.