503415 logo
canSAR503415
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.C[C@H](N)C(=O)N1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1
    InChI
    InChI=1S/C33H51FN6O4.2C3H3F3O/c1-22(35)29(42)40-19-16-36-27(21-40)28(41)37-26(20-23-10-12-25(34)13-11-23)30(43)39-17-14-33(15-18-39,24-8-6-5-7-9-24)31(44)38-32(2,3)4;2*1-2(7)3(4,5)6/h10-13,22,24,26-27,36H,5-9,14-21,35H2,1-4H3,(H,37,41)(H,38,44);2*1H3/t22-,26+,27-;;/m0../s1
    MOLECULAR FORMULA
    C39H57F7N6O6
    CROSS REFERENCES
    503415 logo

    canSAR503415

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 838.42
    AlogP 4.38
    HBond donors 5
    HBond acceptors 12
    Atoms 115
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR503415.