1064755 logo
canSAR1064755
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)[C@H]1CC[C@@H](I)[C@H]2[C@@H]1[C@H](C(=O)OC)[C@H](c1ccc(OC)cc1)N2c1ccc(C)cc1
    InChI
    InChI=1S/C26H30INO5/c1-15-5-9-17(10-6-15)28-23(16-7-11-18(31-2)12-8-16)22(26(30)33-4)21-19(25(29)32-3)13-14-20(27)24(21)28/h5-12,19-24H,13-14H2,1-4H3/t19-,20+,21-,22-,23-,24-/m0/s1
    MOLECULAR FORMULA
    C26H30INO5
    CROSS REFERENCES
    1064755 logo

    canSAR1064755

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 563.12
    AlogP 4.73
    HBond donors 0
    HBond acceptors 6
    Atoms 63
    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 canSAR1064755.