830437 logo
canSAR830437
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C1C(=O)[C@@]23[C@@H](CC[C@H]1[C@H]2OC(=O)C(Cc1ccccc1)NC(=O)CCCCC(=O)O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CCC2=O
    InChI
    InChI=1S/C35H43NO10/c1-19-21-13-14-23-33-18-45-35(44,29(42)27(33)32(2,3)16-15-24(33)37)34(23,28(19)41)30(21)46-31(43)22(17-20-9-5-4-6-10-20)36-25(38)11-7-8-12-26(39)40/h4-6,9-10,21-23,27,29-30,42,44H,1,7-8,11-18H2,2-3H3,(H,36,38)(H,39,40)/t21-,22?,23+,27-,29+,30-,33-,34+,35-/m1/s1
    MOLECULAR FORMULA
    C35H43NO10
    CROSS REFERENCES
    830437 logo

    canSAR830437

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 637.29
    AlogP 2.51
    HBond donors 4
    HBond acceptors 11
    Atoms 89
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR830437.