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canSAR670613
FEATURES
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NAMES
    SMILES
    CN(c1ccsc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)S(=O)(=O)c1ccc(N)cc1
    InChI
    InChI=1S/C18H24N6O5S2/c1-24(31(28,29)12-6-4-11(19)5-7-12)14-8-10-30-15(14)16(25)23-13(17(26)27)3-2-9-22-18(20)21/h4-8,10,13H,2-3,9,19H2,1H3,(H,23,25)(H,26,27)(H4,20,21,22)/t13-/m0/s1
    MOLECULAR FORMULA
    C18H24N6O5S2
    CROSS REFERENCES
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    canSAR670613

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.12
    AlogP 0.60
    HBond donors 8
    HBond acceptors 11
    Atoms 55
    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 canSAR670613.