canSAR1388237
FEATURES
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NAMES
    SMILES
    CC(C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C.[Na+]
    InChI
    InChI=1S/C21H33NO3.Na/c1-12(19(24)25)14-5-6-15-13-4-7-17-21(3,11-9-18(23)22-17)16(13)8-10-20(14,15)2;/h12-17H,4-11H2,1-3H3,(H,22,23)(H,24,25);/q;+1/p-1/t12?,13-,14+,15-,16-,17?,20+,21+;/m0./s1
    MOLECULAR FORMULA
    C21H32NNaO3
    CROSS REFERENCES
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    canSAR1388237
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight369.23
    AlogP-0.49
    HBond donors1
    HBond acceptors4
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388237.