833615 logo
canSAR833615
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)OC1C(SC2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C)[C@H]2O6)OC(C(=O)O)C(OC(C)=O)C1OC(C)=O
    InChI
    InChI=1S/C29H33NO11S/c1-12(31)37-22-23(38-13(2)32)25(39-14(3)33)28(41-24(22)27(35)36)42-19-8-6-16-17-11-15-5-7-18(34)21-20(15)29(16,26(19)40-21)9-10-30(17)4/h5-8,16-17,19,22-26,28,34H,9-11H2,1-4H3,(H,35,36)/t16-,17+,19?,22?,23?,24?,25?,26-,28?,29-/m0/s1
    MOLECULAR FORMULA
    C29H33NO11S
    CROSS REFERENCES
    833615 logo

    canSAR833615

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.18
    AlogP 1.54
    HBond donors 2
    HBond acceptors 12
    Atoms 75
    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 canSAR833615.