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canSAR1126489
FEATURES
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NAMES
    SMILES
    C=C1CC[C@@H]2[C@](C)(COC(=O)C3CCCN3C(=O)OC(C)(C)C)[C@H](OC(=O)C3CCCN3C(=O)OC(C)(C)C)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O
    InChI
    InChI=1S/C40H58N2O10/c1-25-14-17-30-39(8,27(25)16-15-26-19-23-48-32(26)43)20-18-31(50-34(45)29-13-11-22-42(29)36(47)52-38(5,6)7)40(30,9)24-49-33(44)28-12-10-21-41(28)35(46)51-37(2,3)4/h15-16,19,27-31H,1,10-14,17-18,20-24H2,2-9H3/b16-15+/t27-,28?,29?,30+,31-,39+,40+/m1/s1
    MOLECULAR FORMULA
    C40H58N2O10
    CROSS REFERENCES
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    canSAR1126489

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 726.41
    AlogP 6.67
    HBond donors 0
    HBond acceptors 12
    Atoms 110
    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 canSAR1126489.