830763 logo
canSAR830763
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccc(OC)cc12.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3cc(O)ccc32)cc1
    InChI
    InChI=1S/C25H18O3.C20H24N2O2/c26-18-9-5-16(6-10-18)25(17-7-11-19(27)12-8-17)23-4-2-1-3-21(23)22-15-20(28)13-14-24(22)25;1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h1-15,26-28H;3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t;13?,14?,19?,20-/m.1/s1
    MOLECULAR FORMULA
    C45H42N2O5
    CROSS REFERENCES
    830763 logo

    canSAR830763

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 690.31
    AlogP 8.34
    HBond donors 4
    HBond acceptors 7
    Atoms 94
    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 canSAR830763.