1619153 logo
canSAR1619153
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccc(OC)cc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)cc2)C3=N1
    InChI
    InChI=1S/C28H29N3O10S/c1-30-19-12-9-16(38-3)13-18(19)28-14-20(24(32)39-4)31(42(35,36)17-10-7-15(37-2)8-11-17)27(28)29-22(26(34)41-6)21(23(28)30)25(33)40-5/h7-13,20,23H,14H2,1-6H3/t20-,23-,28-/m0/s1
    MOLECULAR FORMULA
    C28H29N3O10S
    CROSS REFERENCES
    1619153 logo

    canSAR1619153

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 599.16
    AlogP 1.41
    HBond donors 0
    HBond acceptors 13
    Atoms 71
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1619153.