1265700 logo
canSAR1265700
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)C1=CC23CC[C@H]4[C@](C)(C(=O)OCC(O)C[N+](C)(C)C)CCC[C@]4(C)[C@H]2CC1CC3C(=O)OCC(O)C[N+](C)(C)C
    InChI
    InChI=1S/C35H62N2O6/c1-23(2)27-18-35-15-12-29-33(3,13-11-14-34(29,4)32(41)43-22-26(39)20-37(8,9)10)30(35)17-24(27)16-28(35)31(40)42-21-25(38)19-36(5,6)7/h18,23-26,28-30,38-39H,11-17,19-22H2,1-10H3/q+2/t24?,25?,26?,28?,29-,30-,33+,34-,35?/m1/s1
    MOLECULAR FORMULA
    C35H62N2O6+2
    CROSS REFERENCES
    1265700 logo

    canSAR1265700

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 606.46
    AlogP 4.04
    HBond donors 2
    HBond acceptors 8
    Atoms 105
    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 canSAR1265700.