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canSAR1087875
FEATURES
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NAMES
    SMILES
    C=CCOCCC[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
    InChI
    InChI=1S/C40H51ClN2O9/c1-6-19-49-20-11-14-29-24-42-38(45)31(23-27-17-18-33(48-5)30(41)22-27)43-35(44)16-10-15-32(50-40(47)34(21-25(2)3)51-39(29)46)26(4)36-37(52-36)28-12-8-7-9-13-28/h6-10,12-13,16-18,22,25-26,29,31-32,34,36-37H,1,11,14-15,19-21,23-24H2,2-5H3,(H,42,45)(H,43,44)/b16-10+/t26-,29+,31+,32-,34-,36+,37+/m0/s1
    MOLECULAR FORMULA
    C40H51ClN2O9
    CROSS REFERENCES
    1087875 logo

    canSAR1087875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 738.33
    AlogP 5.70
    HBond donors 2
    HBond acceptors 11
    Atoms 103
    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 canSAR1087875.