785224 logo
canSAR785224
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCN(Cc1ccc2nc(C)nc(O)c2c1)c1cnc(C(=O)N[C@H](CCC(=O)O)C(=O)O)s1
    InChI
    InChI=1S/C21H23N5O6S/c1-3-26(10-12-4-5-14-13(8-12)18(29)24-11(2)23-14)16-9-22-20(33-16)19(30)25-15(21(31)32)6-7-17(27)28/h4-5,8-9,15H,3,6-7,10H2,1-2H3,(H,25,30)(H,27,28)(H,31,32)(H,23,24,29)/t15-/m1/s1
    MOLECULAR FORMULA
    C21H23N5O6S
    CROSS REFERENCES
    785224 logo

    canSAR785224

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.14
    AlogP 2.17
    HBond donors 4
    HBond acceptors 11
    Atoms 56
    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 canSAR785224.