2052319 logo
canSAR2052319
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cl.Cl.O=C(c1cc(F)cc(N2CCNCC2)c1)N1CCN(C(=O)c2ccc(O[C@H]3CCNC3)c(-c3ccc(F)c(F)c3)c2)CC1
    InChI
    InChI=1S/C32H34F3N5O3.2ClH/c33-24-15-23(16-25(19-24)38-9-7-36-8-10-38)32(42)40-13-11-39(12-14-40)31(41)22-2-4-30(43-26-5-6-37-20-26)27(17-22)21-1-3-28(34)29(35)18-21;;/h1-4,15-19,26,36-37H,5-14,20H2;2*1H/t26-;;/m0../s1
    MOLECULAR FORMULA
    C32H36Cl2F3N5O3
    CROSS REFERENCES
    2052319 logo

    canSAR2052319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 665.21
    AlogP 4.36
    HBond donors 2
    HBond acceptors 8
    Atoms 81
    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 canSAR2052319.