656101 logo
canSAR656101
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    c1cc(C2=NCCCN2)ccc1Oc1ccc(-c2cc3ccc(C4=NCCCN4)cc3[nH]2)cc1
    InChI
    InChI=1S/C28H27N5O/c1-13-29-27(30-14-1)20-7-11-24(12-8-20)34-23-9-5-19(6-10-23)25-17-21-3-4-22(18-26(21)33-25)28-31-15-2-16-32-28/h3-12,17-18,33H,1-2,13-16H2,(H,29,30)(H,31,32)
    MOLECULAR FORMULA
    C28H27N5O
    CROSS REFERENCES
    656101 logo

    canSAR656101

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.22
    AlogP 5.11
    HBond donors 3
    HBond acceptors 6
    Atoms 61
    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 canSAR656101.