canSAR2096528
FEATURES
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NAMES
    SMILES
    C=CC1CN2CCC1CC2[C@@H](Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O)c1ccnc2ccc(OC)cc12
    InChI
    InChI=1S/C31H29F3N4O3/c1-3-17-16-38-13-11-18(17)14-25(38)26(22-10-12-35-24-9-8-21(41-2)15-23(22)24)37-28-27(29(39)30(28)40)36-20-6-4-19(5-7-20)31(32,33)34/h3-10,12,15,17-18,25-26,36-37H,1,11,13-14,16H2,2H3/t17?,18?,25?,26-/m0/s1
    MOLECULAR FORMULA
    C31H29F3N4O3
    CROSS REFERENCES
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    canSAR2096528
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight562.22
    AlogP5.65
    HBond donors2
    HBond acceptors7
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096528.