787328 logo
canSAR787328
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cc(CN4CCN(c5ccccn5)CC4)ccc3CC[C@@H]21
    InChI
    InChI=1S/C29H33ClN4O/c1-32-11-9-22-17-25(30)27(35)18-24(22)29-23-16-20(5-6-21(23)7-8-26(29)32)19-33-12-14-34(15-13-33)28-4-2-3-10-31-28/h2-6,10,16-18,26,29,35H,7-9,11-15,19H2,1H3/t26-,29+/m0/s1
    MOLECULAR FORMULA
    C29H33ClN4O
    CROSS REFERENCES
    787328 logo

    canSAR787328

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.23
    AlogP 4.70
    HBond donors 1
    HBond acceptors 5
    Atoms 68
    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 canSAR787328.