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canSAR1143736
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(C(=O)NCCC(=O)OCC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)/C=N/NC(C)=O)CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C37H58N4O4/c1-10-45-30(43)15-22-39-32(44)37-17-13-26(24(2)3)31(37)27-11-12-29-34(7,20-21-38)28(33(5,6)23-40-41-25(4)42)14-16-36(29,9)35(27,8)18-19-37/h23,26-29,31H,2,10-20,22H2,1,3-9H3,(H,39,44)(H,41,42)/b40-23+/t26-,27+,28-,29+,31+,34-,35+,36+,37-/m0/s1
    MOLECULAR FORMULA
    C37H58N4O4
    CROSS REFERENCES
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    canSAR1143736

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 622.45
    AlogP 6.96
    HBond donors 2
    HBond acceptors 8
    Atoms 103
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1143736.