1018782 logo
canSAR1018782
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCC1COCO1
    InChI
    InChI=1S/C30H28N4O11/c35-8-18-25(38)26(39)27(40)30(45-18)33-17-6-12(37)2-4-15(17)20-22-21(28(41)34(29(22)42)31-7-13-9-43-10-44-13)19-14-3-1-11(36)5-16(14)32-23(19)24(20)33/h1-6,13,18,25-27,30-32,35-40H,7-10H2/t13?,18-,25-,26+,27-,30-/m1/s1
    MOLECULAR FORMULA
    C30H28N4O11
    CROSS REFERENCES
    1018782 logo

    canSAR1018782

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.18
    AlogP 0.29
    HBond donors 8
    HBond acceptors 15
    Atoms 73
    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 canSAR1018782.