1508097 logo
canSAR1508097
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(N=Nc1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccc(I)cc1
    InChI
    InChI=1S/C22H13IN4O/c23-14-11-9-13(10-12-14)22(28)27-26-20-16-6-2-1-5-15(16)19-21(20)25-18-8-4-3-7-17(18)24-19/h1-12,25H
    MOLECULAR FORMULA
    C22H13IN4O
    CROSS REFERENCES
    1508097 logo

    canSAR1508097

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.01
    AlogP 6.35
    HBond donors 1
    HBond acceptors 5
    Atoms 41
    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 canSAR1508097.