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canSAR1126959
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H]1CSSC(C)(C)[C@H](C(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)N(C)C1=O
    InChI
    InChI=1S/C23H39N9O8S2/c1-11(33)29-13-10-41-42-23(2,3)17(18(24)37)31-19(38)12(8-16(35)36)30-15(34)9-28-20(39)14(32(4)21(13)40)6-5-7-27-22(25)26/h12-14,17H,5-10H2,1-4H3,(H2,24,37)(H,28,39)(H,29,33)(H,30,34)(H,31,38)(H,35,36)(H4,25,26,27)/t12-,13-,14-,17+/m1/s1
    MOLECULAR FORMULA
    C23H39N9O8S2
    CROSS REFERENCES
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    canSAR1126959

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 633.24
    AlogP -3.41
    HBond donors 11
    HBond acceptors 17
    Atoms 81
    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 canSAR1126959.