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canSAR643028
FEATURES
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NAMES
    SMILES
    CN(C)Cc1cc(C(=O)C=Cc2ccc(C=CC(=O)c3cc(CN(C)C)c(O)c(CN(C)C)c3)cc2)cc(CN(C)C)c1O.Cl
    InChI
    InChI=1S/C36H46N4O4.ClH/c1-37(2)21-29-17-27(18-30(35(29)43)22-38(3)4)33(41)15-13-25-9-11-26(12-10-25)14-16-34(42)28-19-31(23-39(5)6)36(44)32(20-28)24-40(7)8;/h9-20,43-44H,21-24H2,1-8H3;1H
    MOLECULAR FORMULA
    C36H47ClN4O4
    CROSS REFERENCES
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    canSAR643028

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 634.33
    AlogP 5.56
    HBond donors 2
    HBond acceptors 8
    Atoms 92
    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 canSAR643028.