1203991 logo
canSAR1203991
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(O[C@H]5CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@]56C)CC[C@@]43C)[C@@H]1CC[C@@H]2O
    InChI
    InChI=1S/C37H54O3/c1-35-17-14-25(21-23(35)5-8-29-31-10-12-33(39)36(31,2)19-16-32(29)35)40-34-13-11-30-28-7-4-22-20-24(38)6-9-26(22)27(28)15-18-37(30,34)3/h6,9,20,23,25,27-34,38-39H,4-5,7-8,10-19,21H2,1-3H3/t23-,25?,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
    MOLECULAR FORMULA
    C37H54O3
    CROSS REFERENCES
    1203991 logo

    canSAR1203991

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.41
    AlogP 8.41
    HBond donors 2
    HBond acceptors 3
    Atoms 94
    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 canSAR1203991.