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canSAR780220
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NAMES
    SMILES
    CC1(C)CC[C@]2(CCCCC(=O)N[C@H](Cc3ccccc3)C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C43H65NO4/c1-38(2)23-25-43(20-12-11-15-36(46)44-32(37(47)48)27-29-13-9-8-10-14-29)26-24-41(6)30(31(43)28-38)16-17-34-40(5)21-19-35(45)39(3,4)33(40)18-22-42(34,41)7/h8-10,13-14,16,31-35,45H,11-12,15,17-28H2,1-7H3,(H,44,46)(H,47,48)/t31-,32+,33-,34+,35-,40-,41+,42+,43+/m0/s1
    MOLECULAR FORMULA
    C43H65NO4
    CROSS REFERENCES
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    canSAR780220

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 659.49
    AlogP 9.52
    HBond donors 3
    HBond acceptors 5
    Atoms 113
    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 canSAR780220.