1860764 logo
canSAR1860764
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O.Cl
    InChI
    InChI=1S/C29H34N4O3S.ClH/c1-3-4-5-6-7-8-13-28(34)33(37(2,35)36)23-17-15-22(16-18-23)31-29-24-11-9-10-12-26(24)32-27-20-21(30)14-19-25(27)29;/h9-12,14-20H,3-8,13,30H2,1-2H3,(H,31,32);1H
    MOLECULAR FORMULA
    C29H35ClN4O3S
    CROSS REFERENCES
    1860764 logo

    canSAR1860764

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.21
    AlogP 7.18
    HBond donors 3
    HBond acceptors 7
    Atoms 73
    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 canSAR1860764.