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canSAR1063842
FEATURES
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NAMES
    SMILES
    C=CCN1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C23H31NO3/c1-4-13-24-20(25)8-7-19-17-6-5-16-14-15(21(26)27)9-11-22(16,2)18(17)10-12-23(19,24)3/h4-5,14,17-19H,1,6-13H2,2-3H3,(H,26,27)/t17-,18+,19+,22+,23+/m1/s1
    MOLECULAR FORMULA
    C23H31NO3
    CROSS REFERENCES
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    canSAR1063842

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 369.23
    AlogP 4.34
    HBond donors 1
    HBond acceptors 4
    Atoms 58
    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 canSAR1063842.