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canSAR2003225
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O
    InChI
    InChI=1S/C36H45N3O4/c1-25-21-39(26(2)24-40)36(42)32-20-31(37-35(41)30-12-8-5-9-13-30)18-19-33(32)43-34(25)23-38(3)22-27-14-16-29(17-15-27)28-10-6-4-7-11-28/h4,6-7,10-11,14-20,25-26,30,34,40H,5,8-9,12-13,21-24H2,1-3H3,(H,37,41)/t25-,26+,34+/m1/s1
    MOLECULAR FORMULA
    C36H45N3O4
    CROSS REFERENCES
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    canSAR2003225

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 583.34
    AlogP 6.22
    HBond donors 2
    HBond acceptors 7
    Atoms 88
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2003225.