1989408 logo
canSAR1989408
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Nc1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1
    InChI
    InChI=1S/C30H30FN3O2/c31-25-9-6-10-26(19-25)32-30(36)33-17-4-5-18-34-27(20-33)29(28(34)21-35)24-15-13-23(14-16-24)12-11-22-7-2-1-3-8-22/h1-3,6-10,13-16,19,27-29,35H,4-5,17-18,20-21H2,(H,32,36)/t27-,28-,29+/m0/s1
    MOLECULAR FORMULA
    C30H30FN3O2
    CROSS REFERENCES
    1989408 logo

    canSAR1989408

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.23
    AlogP 4.68
    HBond donors 2
    HBond acceptors 5
    Atoms 66
    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 canSAR1989408.