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canSAR1125087
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NAMES
    SMILES
    CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CN(c2cccc(Cl)c2Cl)N=C14
    InChI
    InChI=1S/C29H38Cl2N2O2/c1-5-35-25(34)28(4)13-7-12-27(3)21(28)11-15-29-17-26(2,14-10-22(27)29)24-18(29)16-33(32-24)20-9-6-8-19(30)23(20)31/h6,8-9,18,21-22H,5,7,10-17H2,1-4H3/t18-,21+,22+,26+,27-,28-,29-/m1/s1
    MOLECULAR FORMULA
    C29H38Cl2N2O2
    CROSS REFERENCES
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    canSAR1125087

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.23
    AlogP 7.76
    HBond donors 0
    HBond acceptors 4
    Atoms 73
    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 canSAR1125087.