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canSAR834530
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NAMES
    SMILES
    CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4cccc(C(=O)O)c4)cc3)C[C@@]21C
    InChI
    InChI=1S/C36H39NO4/c1-4-17-36(41)18-16-32-30-14-10-25-20-28(38)13-15-29(25)33(30)31(21-35(32,36)2)24-8-11-27(12-9-24)37(3)22-23-6-5-7-26(19-23)34(39)40/h5-9,11-12,19-20,30-32,41H,10,13-16,18,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C36H39NO4
    CROSS REFERENCES
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    canSAR834530

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.29
    AlogP 6.68
    HBond donors 2
    HBond acceptors 5
    Atoms 80
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR834530.