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canSAR1087423
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(COCC(COCP(=O)(N[C@@H](Cc1ccccc1)C(=O)OCC)N[C@@H](Cc1ccccc1)C(=O)OCC)Cn1cnc2c(=O)[nH]cnc21)N[C@@H](Cc1ccccc1)C(=O)OCC
    InChI
    InChI=1S/C55H70N8O13P2/c1-5-73-52(65)45(29-40-21-13-9-14-22-40)59-77(69,60-46(53(66)74-6-2)30-41-23-15-10-16-24-41)38-71-34-44(33-63-37-58-49-50(63)56-36-57-51(49)64)35-72-39-78(70,61-47(54(67)75-7-3)31-42-25-17-11-18-26-42)62-48(55(68)76-8-4)32-43-27-19-12-20-28-43/h9-28,36-37,44-48H,5-8,29-35,38-39H2,1-4H3,(H,56,57,64)(H2,59,60,69)(H2,61,62,70)/t45-,46-,47-,48-/m0/s1
    MOLECULAR FORMULA
    C55H70N8O13P2
    CROSS REFERENCES
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    canSAR1087423

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1112.45
    AlogP 6.13
    HBond donors 5
    HBond acceptors 21
    Atoms 148
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087423.