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canSAR925371
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@H](C)NP(=O)(OCCSC(=O)C(C)(C)C)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]
    InChI
    InChI=1S/C21H33N6O9PS/c1-12-10-27(20(31)23-17(12)28)16-9-14(24-26-22)15(36-16)11-35-37(32,25-13(2)18(29)33-6)34-7-8-38-19(30)21(3,4)5/h10,13-16H,7-9,11H2,1-6H3,(H,25,32)(H,23,28,31)/t13-,14?,15?,16?,37?/m1/s1
    MOLECULAR FORMULA
    C21H33N6O9PS
    CROSS REFERENCES
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    canSAR925371

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 576.18
    AlogP 2.41
    HBond donors 2
    HBond acceptors 15
    Atoms 71
    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 canSAR925371.