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canSAR144725
FEATURES
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NAMES
    SMILES
    NC(N)=NCCC[C@H](N)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC1=O
    InChI
    InChI=1S/C21H34N8O8S2/c22-10(3-1-5-25-21(23)24)16(32)27-12-8-38-39-9-13(20(36)37)28-18(34)14-4-2-6-29(14)19(35)11(7-15(30)31)26-17(12)33/h10-14H,1-9,22H2,(H,26,33)(H,27,32)(H,28,34)(H,30,31)(H,36,37)(H4,23,24,25)/t10-,11-,12-,13-,14-/m0/s1
    MOLECULAR FORMULA
    C21H34N8O8S2
    CROSS REFERENCES
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    canSAR144725

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 590.19
    AlogP -3.23
    HBond donors 11
    HBond acceptors 16
    Atoms 73
    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 canSAR144725.