1131519 logo
canSAR1131519
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNc1nc(N)nc2c1ncn2Cc1cc(I)c(OC)cc1C(C)C
    InChI
    InChI=1S/C17H21IN6O/c1-9(2)11-6-13(25-4)12(18)5-10(11)7-24-8-21-14-15(20-3)22-17(19)23-16(14)24/h5-6,8-9H,7H2,1-4H3,(H3,19,20,22,23)
    MOLECULAR FORMULA
    C17H21IN6O
    CROSS REFERENCES
    1131519 logo

    canSAR1131519

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.08
    AlogP 3.24
    HBond donors 3
    HBond acceptors 7
    Atoms 46
    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 canSAR1131519.