987013 logo
canSAR987013
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1
    InChI
    InChI=1S/C36H49N5O9/c1-7-22(2)31(38-32(43)23-14-16-40(17-15-23)35(46)50-36(3,4)5)34(45)41-20-25-18-28(49-21-30(42)39-47)11-8-24(25)19-29(41)33(44)37-26-9-12-27(48-6)13-10-26/h8-13,18,22-23,29,31,47H,7,14-17,19-21H2,1-6H3,(H,37,44)(H,38,43)(H,39,42)/t22-,29-,31-/m0/s1
    MOLECULAR FORMULA
    C36H49N5O9
    CROSS REFERENCES
    987013 logo

    canSAR987013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 695.35
    AlogP 3.65
    HBond donors 4
    HBond acceptors 14
    Atoms 99
    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 canSAR987013.