2021383 logo
canSAR2021383
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    N[C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1
    InChI
    InChI=1S/C29H27ClFN5O2/c30-23-11-18(12-24(31)29(23)38)17-5-7-25-21(10-17)27(22(14-33-25)28(37)16-3-4-16)35-20-6-8-26(34-13-20)36-9-1-2-19(32)15-36/h5-8,10-14,16,19,38H,1-4,9,15,32H2,(H,33,35)/t19-/m0/s1
    MOLECULAR FORMULA
    C29H27ClFN5O2
    CROSS REFERENCES
    2021383 logo

    canSAR2021383

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.18
    AlogP 6.06
    HBond donors 4
    HBond acceptors 7
    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 canSAR2021383.