canSAR1386738
FEATURES
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NAMES
    SMILES
    C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1ccccc1)C2
    InChI
    InChI=1S/C18H21N3O2S/c1-21-9-7-13(8-10-21)15(11-21)23-18(22)20-17-16(24-12-19-17)14-5-3-2-4-6-14/h2-6,12-13,15H,7-11H2,1H3/p+1/t13?,15-,21?/m0/s1
    MOLECULAR FORMULA
    C18H22N3O2S+
    CROSS REFERENCES
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    canSAR1386738
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight344.14
    AlogP3.60
    HBond donors1
    HBond acceptors5
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1386738.