994013 logo
canSAR994013
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O
    InChI
    InChI=1S/C38H50O6Si/c1-26-18-21-33-37(6,31(26)20-19-30-32(44-27(2)39)24-42-35(30)41)23-22-34(40)38(33,7)25-43-45(36(3,4)5,28-14-10-8-11-15-28)29-16-12-9-13-17-29/h8-17,19,31-34,40H,1,18,20-25H2,2-7H3/b30-19+/t31-,32-,33+,34-,37+,38+/m1/s1
    MOLECULAR FORMULA
    C38H50O6Si
    CROSS REFERENCES
    994013 logo

    canSAR994013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 630.34
    AlogP 6.12
    HBond donors 1
    HBond acceptors 6
    Atoms 95
    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 canSAR994013.