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canSAR565733
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NAMES
    SMILES
    CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O.Cl.Cl
    InChI
    InChI=1S/C26H31N3O4S2.2ClH/c1-18(2)34-25-15-21(10-11-23(25)26(31)29-35(3,32)33)20-8-6-19(7-9-20)12-14-28-17-24(30)22-5-4-13-27-16-22;;/h4-11,13,15-16,18,24,28,30H,12,14,17H2,1-3H3,(H,29,31);2*1H/t24-;;/m0../s1
    MOLECULAR FORMULA
    C26H33Cl2N3O4S2
    CROSS REFERENCES
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    canSAR565733

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.13
    AlogP 4.65
    HBond donors 3
    HBond acceptors 7
    Atoms 70
    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 canSAR565733.