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canSAR560932
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NAMES
    SMILES
    O=C(Cc1cn(CCn2ccc3cc(Cl)ccc32)c2ccccc12)NCCCCCCCCCCCCOP(=O)(O)Oc1cccc(Cl)c1
    InChI
    InChI=1S/C38H46Cl2N3O5P/c39-32-14-13-15-34(28-32)48-49(45,46)47-25-12-8-6-4-2-1-3-5-7-11-21-41-38(44)27-31-29-43(37-17-10-9-16-35(31)37)24-23-42-22-20-30-26-33(40)18-19-36(30)42/h9-10,13-20,22,26,28-29H,1-8,11-12,21,23-25,27H2,(H,41,44)(H,45,46)
    MOLECULAR FORMULA
    C38H46Cl2N3O5P
    CROSS REFERENCES
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    canSAR560932

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 725.26
    AlogP 10.36
    HBond donors 2
    HBond acceptors 8
    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 canSAR560932.