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canSAR845601
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(N)=O)CC[C@@H]12
    InChI
    InChI=1S/C20H28N2O6S/c1-20-8-7-12-13(15(20)5-6-18(20)27-19(21)23)4-3-11-9-17(28-29(22,24)25)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,21,23)(H2,22,24,25)/t12-,13+,15-,18-,20-/m0/s1
    MOLECULAR FORMULA
    C20H28N2O6S
    CROSS REFERENCES
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    canSAR845601

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.17
    AlogP 2.60
    HBond donors 4
    HBond acceptors 8
    Atoms 57
    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 canSAR845601.