1431833 logo
canSAR1431833
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1
    InChI
    InChI=1S/C29H29FN4O2/c30-24-7-1-2-8-25(24)32-29(36)33-16-3-4-17-34-26(19-33)28(27(34)20-35)23-13-11-21(12-14-23)9-10-22-6-5-15-31-18-22/h1-2,5-8,11-15,18,26-28,35H,3-4,16-17,19-20H2,(H,32,36)/t26-,27-,28-/m0/s1
    MOLECULAR FORMULA
    C29H29FN4O2
    CROSS REFERENCES
    1431833 logo

    canSAR1431833

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.23
    AlogP 4.08
    HBond donors 2
    HBond acceptors 6
    Atoms 65
    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 canSAR1431833.