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canSAR1129071
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NAMES
    SMILES
    NC(=O)[C@H]1C[C@@H]1c1ccc(-c2nn(C3CC3)cc2Sc2ccc(Cl)cc2)cc1
    InChI
    InChI=1S/C22H20ClN3OS/c23-15-5-9-17(10-6-15)28-20-12-26(16-7-8-16)25-21(20)14-3-1-13(2-4-14)18-11-19(18)22(24)27/h1-6,9-10,12,16,18-19H,7-8,11H2,(H2,24,27)/t18-,19+/m1/s1
    MOLECULAR FORMULA
    C22H20ClN3OS
    CROSS REFERENCES
    1129071 logo

    canSAR1129071

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.10
    AlogP 5.28
    HBond donors 2
    HBond acceptors 4
    Atoms 48
    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 canSAR1129071.