833340 logo
canSAR833340
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)=C[C@@H]1C[C@](O)([C@H]2CC[C@@H]3[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c4cccc(C(=O)O)c4)CC[C@]23C)C(=O)O1
    InChI
    InChI=1S/C37H50O7/c1-21(2)18-24-20-37(42,33(41)43-24)27-12-11-26-25(27)10-13-29-35(26,5)16-14-28-34(3,4)30(15-17-36(28,29)6)44-32(40)23-9-7-8-22(19-23)31(38)39/h7-9,18-19,24-30,42H,10-17,20H2,1-6H3,(H,38,39)/t24-,25+,26-,27+,28+,29+,30+,35+,36+,37+/m1/s1
    MOLECULAR FORMULA
    C37H50O7
    CROSS REFERENCES
    833340 logo

    canSAR833340

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 606.36
    AlogP 7.22
    HBond donors 2
    HBond acceptors 7
    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 canSAR833340.