111417 logo
canSAR111417
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C2CCCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1
    InChI
    InChI=1S/C29H41N3O4S2/c1-24-10-14-28(15-11-24)37(33,34)31-20-6-18-30(27-8-4-5-9-27)19-7-21-32(23-26(3)22-31)38(35,36)29-16-12-25(2)13-17-29/h10-17,27H,3-9,18-23H2,1-2H3
    MOLECULAR FORMULA
    C29H41N3O4S2
    CROSS REFERENCES
    111417 logo

    canSAR111417

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 559.25
    AlogP 4.58
    HBond donors 0
    HBond acceptors 7
    Atoms 79
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR111417.