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canSAR1525298
FEATURES
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NAMES
    SMILES
    CN1CCCc2cc(N(C(=O)c3cc(-c4cc(Cl)ccc4C(=O)N4Cc5ccccc5C[C@H]4CN4CCOCC4)n4c3CCCC4)c3ccc(O)cc3)ccc21
    InChI
    InChI=1S/C46H48ClN5O4/c1-48-19-6-9-32-26-36(14-18-42(32)48)52(35-12-15-38(53)16-13-35)46(55)41-28-44(50-20-5-4-10-43(41)50)40-27-34(47)11-17-39(40)45(54)51-29-33-8-3-2-7-31(33)25-37(51)30-49-21-23-56-24-22-49/h2-3,7-8,11-18,26-28,37,53H,4-6,9-10,19-25,29-30H2,1H3/t37-/m0/s1
    MOLECULAR FORMULA
    C46H48ClN5O4
    CROSS REFERENCES
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    canSAR1525298

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 769.34
    AlogP 8.11
    HBond donors 1
    HBond acceptors 9
    Atoms 104
    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 canSAR1525298.