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canSAR351672
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2cc3ccccc3s2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C
    InChI
    InChI=1S/C42H46N4O6S/c1-41(2,3)37(44-40(50)52-4)38(48)45-46(25-28-18-20-29(21-19-28)35-23-31-15-9-11-17-34(31)53-35)26-42(51,24-27-12-6-5-7-13-27)39(49)43-36-32-16-10-8-14-30(32)22-33(36)47/h5-21,23,33,36-37,47,51H,22,24-26H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t33-,36+,37-,42+/m1/s1
    MOLECULAR FORMULA
    C42H46N4O6S
    CROSS REFERENCES
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    canSAR351672

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 734.31
    AlogP 5.92
    HBond donors 5
    HBond acceptors 10
    Atoms 99
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR351672.