2048395 logo
canSAR2048395
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCN(CCC(=O)O)C4)s2)cc1Cl
    InChI
    InChI=1S/C20H22ClN5O3S/c1-12(2)29-17-4-3-13(9-15(17)21)19-23-24-20(30-19)26-16-5-7-25(8-6-18(27)28)11-14(16)10-22-26/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,27,28)
    MOLECULAR FORMULA
    C20H22ClN5O3S
    CROSS REFERENCES
    2048395 logo

    canSAR2048395

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.11
    AlogP 3.66
    HBond donors 1
    HBond acceptors 8
    Atoms 52
    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 canSAR2048395.