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canSAR1203560
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC6=NC(C)(C)N=C6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C35H54N2O2/c1-21(2)23-13-16-35(20-39-22(3)38)18-17-33(9)24(28(23)35)11-12-27-32(8)19-25-29(37-31(6,7)36-25)30(4,5)26(32)14-15-34(27,33)10/h23-24,26-28H,1,11-20H2,2-10H3/t23-,24+,26-,27+,28+,32-,33+,34+,35+/m0/s1
    MOLECULAR FORMULA
    C35H54N2O2
    CROSS REFERENCES
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    canSAR1203560

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.42
    AlogP 8.45
    HBond donors 0
    HBond acceptors 4
    Atoms 93
    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 canSAR1203560.