220440 logo
canSAR220440
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CCOCC2)cc(N2CCCCS2(=O)=O)c1
    InChI
    InChI=1S/C28H40N4O5S/c1-2-29-24-17-22(18-25(19-24)32-12-6-7-15-38(32,35)36)28(34)31-26(16-21-8-4-3-5-9-21)27(33)20-30-23-10-13-37-14-11-23/h3-5,8-9,17-19,23,26-27,29-30,33H,2,6-7,10-16,20H2,1H3,(H,31,34)/t26-,27+/m0/s1
    MOLECULAR FORMULA
    C28H40N4O5S
    CROSS REFERENCES
    220440 logo

    canSAR220440

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.27
    AlogP 2.52
    HBond donors 4
    HBond acceptors 9
    Atoms 78
    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 canSAR220440.