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canSAR1156531
FEATURES
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NAMES
    SMILES
    C=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@@]2(O)[C@@H]1C[C@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@@](O)(/C=C(/C)COC(C)=O)O[C@H]5CC[C@]2(C)[C@@]41C
    InChI
    InChI=1S/C39H46ClNO8/c1-17(16-46-19(3)42)15-36(43)32-39(49-32)26(47-36)9-10-34(6)35(7)21(8-11-37(34,39)44)30-28-27-24(41-31(28)35)14-23(40)20-12-18(2)22-13-25(33(4,5)48-30)38(22,45)29(20)27/h14-15,21-22,25-26,30,32,41,43-45H,2,8-13,16H2,1,3-7H3/b17-15-/t21-,22+,25-,26-,30-,32+,34+,35+,36+,37-,38+,39-/m0/s1
    MOLECULAR FORMULA
    C39H46ClNO8
    CROSS REFERENCES
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    canSAR1156531

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 691.29
    AlogP 5.55
    HBond donors 4
    HBond acceptors 9
    Atoms 95
    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 canSAR1156531.