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canSAR837602
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5c([nH]c6ccc(Cl)cc56)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O
    InChI
    InChI=1S/C42H59ClN2O3/c1-24(2)20-31(35(46)47)45-36(48)42-18-16-37(3,4)23-29(42)28-11-13-33-39(7)22-27-26-21-25(43)10-12-30(26)44-34(27)38(5,6)32(39)14-15-41(33,9)40(28,8)17-19-42/h10-12,21,24,29,31-33,44H,13-20,22-23H2,1-9H3,(H,45,48)(H,46,47)/t29-,31-,32-,33+,39-,40+,41+,42-/m0/s1
    MOLECULAR FORMULA
    C42H59ClN2O3
    CROSS REFERENCES
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    canSAR837602

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 674.42
    AlogP 10.25
    HBond donors 3
    HBond acceptors 5
    Atoms 107
    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 canSAR837602.