930096 logo
canSAR930096
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CCC2(C)C(=CCC3C4CC[C@H](C(C)COC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)C4CCC32)C1
    InChI
    InChI=1S/C54H85Cl2NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-53(59)61-46-34-35-54(3)44(40-46)26-29-50-49-31-30-47(48(49)32-33-51(50)54)42(2)41-60-52(58)23-20-21-43-24-27-45(28-25-43)57(38-36-55)39-37-56/h11-12,24-28,42,46-51H,4-10,13-23,29-41H2,1-3H3/b12-11-/t42?,46-,47+,48?,49?,50?,51?,54?/m0/s1
    MOLECULAR FORMULA
    C54H85Cl2NO4
    CROSS REFERENCES
    930096 logo

    canSAR930096

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 881.59
    AlogP 15.00
    HBond donors 0
    HBond acceptors 5
    Atoms 146
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR930096.