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canSAR1441304
FEATURES
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NAMES
    SMILES
    CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)N2C[C@@H](C)N(CCc3ccccc3)C[C@@H]2C)cc1
    InChI
    InChI=1S/C33H43N3O2/c1-6-34(7-2)33(37)29-18-16-28(17-19-29)32(30-14-11-15-31(22-30)38-5)36-24-25(3)35(23-26(36)4)21-20-27-12-9-8-10-13-27/h8-19,22,25-26,32H,6-7,20-21,23-24H2,1-5H3/t25-,26+,32?/m1/s1
    MOLECULAR FORMULA
    C33H43N3O2
    CROSS REFERENCES
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    canSAR1441304

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.34
    AlogP 5.90
    HBond donors 0
    HBond acceptors 5
    Atoms 81
    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 canSAR1441304.