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canSAR1764976
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NAMES
    SMILES
    CN1CC2(CC2)c2cc(N(C(=O)c3cc(-c4cc(Cl)ccc4C(=O)N4Cc5ccccc5C[C@H]4CN4CCOCC4)n4c3CCCC4)c3ccc(O)cc3)ccc21
    InChI
    InChI=1S/C47H48ClN5O4/c1-49-30-47(17-18-47)41-26-35(12-16-43(41)49)53(34-10-13-37(54)14-11-34)46(56)40-27-44(51-19-5-4-8-42(40)51)39-25-33(48)9-15-38(39)45(55)52-28-32-7-3-2-6-31(32)24-36(52)29-50-20-22-57-23-21-50/h2-3,6-7,9-16,25-27,36,54H,4-5,8,17-24,28-30H2,1H3/t36-/m0/s1
    MOLECULAR FORMULA
    C47H48ClN5O4
    CROSS REFERENCES
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    canSAR1764976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 781.34
    AlogP 8.21
    HBond donors 1
    HBond acceptors 9
    Atoms 105
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1764976.