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canSAR1637563
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NAMES
    SMILES
    CC(C)(C)c1ccc(-c2ccccc2)cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@@]21C
    InChI
    InChI=1S/C35H44N2O2/c1-33(2,3)28-12-11-23(22-9-7-6-8-10-22)19-30(28)37-32(39)29-14-13-26-25-21-36-31-20-24(38)15-17-35(31,5)27(25)16-18-34(26,29)4/h6-12,19,25-27,29H,13-18,20-21H2,1-5H3,(H,37,39)/t25?,26?,27?,29-,34+,35-/m1/s1
    MOLECULAR FORMULA
    C35H44N2O2
    CROSS REFERENCES
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    canSAR1637563

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.34
    AlogP 7.86
    HBond donors 1
    HBond acceptors 4
    Atoms 83
    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 canSAR1637563.