1429963 logo
canSAR1429963
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccc(/N=N/c2sc(N3Nc4onc(-c5ccccc5)c4C3c3ccc(Cl)cc3)nc2C)cc1
    InChI
    InChI=1S/C27H21ClN6OS/c1-16-8-14-21(15-9-16)30-31-26-17(2)29-27(36-26)34-24(19-10-12-20(28)13-11-19)22-23(33-35-25(22)32-34)18-6-4-3-5-7-18/h3-15,24,32H,1-2H3/b31-30+
    MOLECULAR FORMULA
    C27H21ClN6OS
    CROSS REFERENCES
    1429963 logo

    canSAR1429963

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.12
    AlogP 8.42
    HBond donors 1
    HBond acceptors 7
    Atoms 57
    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 canSAR1429963.