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canSAR1130952
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NAMES
    SMILES
    CC(=O)OC[C@]1(C)[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@H]21
    InChI
    InChI=1S/C36H39NO10/c1-20(38)43-19-35(4)26-17-28(44-21(2)39)36(5)31(34(26,3)14-13-27(35)46-32(41)22-10-7-6-8-11-22)30(40)29-25(47-36)16-24(45-33(29)42)23-12-9-15-37-18-23/h6-12,15-16,18,26-28,30-31,40H,13-14,17,19H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
    MOLECULAR FORMULA
    C36H39NO10
    CROSS REFERENCES
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    canSAR1130952

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 645.26
    AlogP 5.05
    HBond donors 1
    HBond acceptors 11
    Atoms 86
    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 canSAR1130952.