1062362 logo
canSAR1062362
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(CNC(=O)N[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1
    InChI
    InChI=1S/C42H62N2O9/c1-23-12-17-42(50-22-23)24(2)34-32(53-42)19-31-29-11-8-26-18-28(13-15-40(26,3)30(29)14-16-41(31,34)4)51-38-35(37(47)36(46)33(21-45)52-38)44-39(48)43-20-25-6-9-27(49-5)10-7-25/h6-10,23-24,28-38,45-47H,11-22H2,1-5H3,(H2,43,44,48)/t23-,24+,28+,29-,30+,31+,32+,33-,34+,35-,36-,37-,38-,40+,41+,42-/m1/s1
    MOLECULAR FORMULA
    C42H62N2O9
    CROSS REFERENCES
    1062362 logo

    canSAR1062362

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 738.45
    AlogP 5.05
    HBond donors 5
    HBond acceptors 11
    Atoms 115
    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 canSAR1062362.