984002 logo
canSAR984002
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@]45O[C@]4(CC[C@@H]4C(C)(C)[C@H](OC(=O)CC(C)(C)C(=O)O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C
    InChI
    InChI=1S/C37H60O6/c1-30(2,29(39)40)21-28(38)42-27-15-18-35(9)24(32(27,5)6)12-19-36-22-33(7)16-11-23-31(3,4)26(41-10)14-17-34(23,8)25(33)13-20-37(35,36)43-36/h23-27H,11-22H2,1-10H3,(H,39,40)/t23-,24+,25-,26+,27+,33-,34-,35+,36+,37+/m0/s1
    MOLECULAR FORMULA
    C37H60O6
    CROSS REFERENCES
    984002 logo

    canSAR984002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 600.44
    AlogP 8.20
    HBond donors 1
    HBond acceptors 6
    Atoms 103
    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 canSAR984002.