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canSAR1266463
FEATURES
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NAMES
    SMILES
    CCC(CS(=O)(=O)c1ccccc1)OP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])OC(CC)CS(=O)(=O)c1ccccc1
    InChI
    InChI=1S/C30H38N5O11PS2/c1-4-22(19-48(39,40)24-12-8-6-9-13-24)45-47(38,46-23(5-2)20-49(41,42)25-14-10-7-11-15-25)43-18-27-26(33-34-31)16-28(44-27)35-17-21(3)29(36)32-30(35)37/h6-15,17,22-23,26-28H,4-5,16,18-20H2,1-3H3,(H,32,36,37)/t22?,23?,26-,27+,28+,47?/m0/s1
    MOLECULAR FORMULA
    C30H38N5O11PS2
    CROSS REFERENCES
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    canSAR1266463

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 739.17
    AlogP 4.47
    HBond donors 1
    HBond acceptors 16
    Atoms 87
    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 canSAR1266463.