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canSAR463103
FEATURES
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NAMES
    SMILES
    CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3ccccc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1
    InChI
    InChI=1S/C40H59N7O4S/c1-27(2)35(43-39(51)45(8)23-31-26-52-38(41-31)28(3)4)37(50)42-32(21-29-15-11-9-12-16-29)34(48)25-47-20-19-46(22-30-17-13-10-14-18-30)24-33(47)36(49)44-40(5,6)7/h9-18,26-28,32-35,48H,19-25H2,1-8H3,(H,42,50)(H,43,51)(H,44,49)/t32-,33-,34+,35-/m0/s1
    MOLECULAR FORMULA
    C40H59N7O4S
    CROSS REFERENCES
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    canSAR463103

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 733.43
    AlogP 4.62
    HBond donors 4
    HBond acceptors 11
    Atoms 111
    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 canSAR463103.