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canSAR1528498
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CC(=O)OS(=O)(=O)[O-])NC(=O)[C@H](Cc1ccc(OS(=O)(=O)[O-])cc1)NC(=O)[C@H](COS(=O)(=O)[O-])NC(=O)[C@@H](N)Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@@H](CC(=O)OS(=O)(=O)[O-])C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C53H64N8O39S7.7Na/c1-27(2)19-37(47(65)58-41(25-45(63)100-107(91,92)93)51(69)56-39(22-30-7-15-34(16-8-30)97-104(82,83)84)49(67)60-42(53(71)72)23-31-9-17-35(18-10-31)98-105(85,86)87)55-50(68)40(24-44(62)99-106(88,89)90)59-48(66)38(21-29-5-13-33(14-6-29)96-103(79,80)81)57-52(70)43(26-94-101(73,74)75)61-46(64)36(54)20-28-3-11-32(12-4-28)95-102(76,77)78;;;;;;;/h3-18,27,36-43H,19-26,54H2,1-2H3,(H,55,68)(H,56,69)(H,57,70)(H,58,65)(H,59,66)(H,60,67)(H,61,64)(H,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93);;;;;;;/q;7*+1/p-7/t36-,37-,38-,39-,40-,41-,42-,43-;;;;;;;/m0......./s1
    MOLECULAR FORMULA
    C53H57N8Na7O39S7
    CROSS REFERENCES
    1528498 logo

    canSAR1528498

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1814.01
    AlogP -28.54
    HBond donors 10
    HBond acceptors 47
    Atoms 171
    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 canSAR1528498.