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canSAR1157111
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NAMES
    SMILES
    CC(O)(c1ccncc1Cl)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C26H38ClNO2/c1-24-11-8-17(29)14-16(24)4-5-18-19-6-7-23(25(19,2)12-9-20(18)24)26(3,30)21-10-13-28-15-22(21)27/h10,13,15-20,23,29-30H,4-9,11-12,14H2,1-3H3/t16?,17-,18-,19-,20-,23-,24-,25-,26?/m0/s1
    MOLECULAR FORMULA
    C26H38ClNO2
    CROSS REFERENCES
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    canSAR1157111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.26
    AlogP 5.96
    HBond donors 2
    HBond acceptors 3
    Atoms 68
    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 canSAR1157111.