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canSAR1013775
FEATURES
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NAMES
    SMILES
    COC(=O)c1ccc(C(=O)NCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1P(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C37H45N4O7PS/c1-46-36(44)29-17-16-26(24-31(29)49(27-10-4-2-5-11-27)28-12-6-3-7-13-28)35(43)39-19-21-48-23-22-47-20-18-38-33(42)15-9-8-14-32-34-30(25-50-32)40-37(45)41-34/h2-7,10-13,16-17,24,30,32,34H,8-9,14-15,18-23,25H2,1H3,(H,38,42)(H,39,43)(H2,40,41,45)/t30-,32-,34-/m0/s1
    MOLECULAR FORMULA
    C37H45N4O7PS
    CROSS REFERENCES
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    canSAR1013775

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 720.27
    AlogP 2.84
    HBond donors 4
    HBond acceptors 11
    Atoms 95
    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 canSAR1013775.