2207651 logo
canSAR2207651
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Nc1nccn2c([C@H]3CC[C@H](C(F)(F)F)N(C(=O)C4CC4)C3)nc(-c3ccc(C(=O)Nc4cc(F)ccn4)cc3)c12
    InChI
    InChI=1S/C28H25F4N7O2/c29-19-9-10-34-21(13-19)36-26(40)16-3-1-15(2-4-16)22-23-24(33)35-11-12-38(23)25(37-22)18-7-8-20(28(30,31)32)39(14-18)27(41)17-5-6-17/h1-4,9-13,17-18,20H,5-8,14H2,(H2,33,35)(H,34,36,40)/t18-,20+/m0/s1
    MOLECULAR FORMULA
    C28H25F4N7O2
    CROSS REFERENCES
    2207651 logo

    canSAR2207651

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 567.20
    AlogP 4.81
    HBond donors 3
    HBond acceptors 9
    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 canSAR2207651.