1401162 logo
canSAR1401162
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(COC(=O)C[n+]3ccc(C)cc3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C[n+]6ccc(C)cc6C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.[Cl-].[Cl-]
    InChI
    InChI=1S/C48H70N2O4.2ClH/c1-31(2)36-14-21-48(30-53-41(51)28-49-24-17-32(3)26-34(49)5)23-22-46(10)37(43(36)48)12-13-39-45(9)19-16-40(44(7,8)38(45)15-20-47(39,46)11)54-42(52)29-50-25-18-33(4)27-35(50)6;;/h17-18,24-27,36-40,43H,1,12-16,19-23,28-30H2,2-11H3;2*1H/q+2;;/p-2/t36-,37+,38-,39+,40-,43+,45-,46+,47+,48+;;/m0../s1
    MOLECULAR FORMULA
    C48H70Cl2N2O4
    CROSS REFERENCES
    1401162 logo

    canSAR1401162

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 808.47
    AlogP 3.32
    HBond donors 0
    HBond acceptors 6
    Atoms 126
    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 canSAR1401162.