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canSAR782822
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NAMES
    SMILES
    COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)NCC(=O)N32)cc(OC)c1O
    InChI
    InChI=1S/C22H21N3O5/c1-29-16-7-11(8-17(30-2)21(16)27)20-19-13(12-5-3-4-6-14(12)24-19)9-15-22(28)23-10-18(26)25(15)20/h3-8,15,20,24,27H,9-10H2,1-2H3,(H,23,28)/t15-,20-/m0/s1
    MOLECULAR FORMULA
    C22H21N3O5
    CROSS REFERENCES
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    canSAR782822

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.15
    AlogP 1.86
    HBond donors 3
    HBond acceptors 8
    Atoms 51
    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 canSAR782822.