canSAR1584816
FEATURES
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NAMES
    SMILES
    CCCNC(=S)NN=Cc1cc2c(c(O)c1C(=O)O)-c1c(O)c3c(c(OC)c1CC2)C(=O)c1c(cc(O)c(C)c1O)C3=O
    InChI
    InChI=1S/C30H27N3O9S/c1-4-7-31-30(43)33-32-10-13-8-12-5-6-14-19(17(12)25(37)18(13)29(40)41)26(38)21-22(28(14)42-3)27(39)20-15(24(21)36)9-16(34)11(2)23(20)35/h8-10,34-35,37-38H,4-7H2,1-3H3,(H,40,41)(H2,31,33,43)
    MOLECULAR FORMULA
    C30H27N3O9S
    CROSS REFERENCES
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    canSAR1584816
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight605.15
    AlogP3.27
    HBond donors7
    HBond acceptors12
    Atoms70
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1584816.