163280 logo
canSAR163280
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@]1(N)Cc2cc(F)cc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
    InChI
    InChI=1S/C34H29F2N3O3/c1-34(38)18-22-12-21(15-29(36)16-22)6-11-31(24-7-9-28(35)10-8-24)39-32(40)27-14-23(20-42-33(34)41)13-26(17-27)30-5-3-2-4-25(30)19-37/h2-5,7-10,12-17,31H,6,11,18,20,38H2,1H3,(H,39,40)/t31-,34-/m1/s1
    MOLECULAR FORMULA
    C34H29F2N3O3
    CROSS REFERENCES
    163280 logo

    canSAR163280

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.22
    AlogP 5.92
    HBond donors 3
    HBond acceptors 6
    Atoms 71
    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 canSAR163280.