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canSAR1155156
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C(=O)CC[C@]35C)[C@@H]1CC/C2=C\c1ccccn1
    InChI
    InChI=1S/C25H31NO2/c1-23-11-9-20-18(8-13-25-22(28-25)21(27)10-12-24(20,25)2)19(23)7-6-16(23)15-17-5-3-4-14-26-17/h3-5,14-15,18-20,22H,6-13H2,1-2H3/b16-15+/t18-,19-,20-,22-,23+,24+,25-/m0/s1
    MOLECULAR FORMULA
    C25H31NO2
    CROSS REFERENCES
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    canSAR1155156

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.24
    AlogP 5.21
    HBond donors 0
    HBond acceptors 3
    Atoms 59
    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 canSAR1155156.