canSAR1810003
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(Cl)cc5s4)C[C@H]3C2)c(OC)c1
    InChI
    InChI=1S/C22H22ClN3O3S/c1-28-16-4-5-17(19(8-16)29-2)21(27)25-9-13-11-26(12-14(13)10-25)22-24-18-6-3-15(23)7-20(18)30-22/h3-8,13-14H,9-12H2,1-2H3/t13-,14+
    MOLECULAR FORMULA
    C22H22ClN3O3S
    CROSS REFERENCES
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    canSAR1810003
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight443.11
    AlogP4.18
    HBond donors0
    HBond acceptors6
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1810003.