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canSAR1620385
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NAMES
    SMILES
    COCC(=O)N(C)C[C@H]1Oc2cc(C#Cc3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
    InChI
    InChI=1S/C25H31N3O6S/c1-18-14-28(19(2)16-29)35(31,32)24-10-9-20(7-8-21-6-5-11-26-13-21)12-22(24)34-23(18)15-27(3)25(30)17-33-4/h5-6,9-13,18-19,23,29H,14-17H2,1-4H3/t18-,19-,23-/m1/s1
    MOLECULAR FORMULA
    C25H31N3O6S
    CROSS REFERENCES
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    canSAR1620385

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.19
    AlogP 1.35
    HBond donors 1
    HBond acceptors 9
    Atoms 66
    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 canSAR1620385.