1060598 logo
canSAR1060598
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CCCC[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCC(C)C
    InChI
    InChI=1S/C39H63N3O6/c1-8-9-12-21-31(25-35(44)33(24-30-19-15-11-16-20-30)42-38(47)48-39(5,6)7)37(46)41-32(23-29-17-13-10-14-18-29)34(43)22-28(4)36(45)40-26-27(2)3/h8,11,15-16,19-20,27,29,31-35,43-44H,1,4,9-10,12-14,17-18,21-26H2,2-3,5-7H3,(H,40,45)(H,41,46)(H,42,47)/t31-,32-,33-,34-,35+/m0/s1
    MOLECULAR FORMULA
    C39H63N3O6
    CROSS REFERENCES
    1060598 logo

    canSAR1060598

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 669.47
    AlogP 6.38
    HBond donors 5
    HBond acceptors 9
    Atoms 111
    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 canSAR1060598.