2015773 logo
canSAR2015773
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]2(C)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O
    InChI
    InChI=1S/C40H59N5O4/c1-25(2)12-11-13-28(7)18-20-41-35(46)24-30-23-33(39(49)45(26(3)4)27(5)6)40(8)37-32(19-21-44(40)38(30)48)31-16-14-29(22-34(31)42-37)15-17-36(47)43(9)10/h12,14,16,18,22,26-27,30,33,42H,11,13,15,17,19-21,23-24H2,1-10H3,(H,41,46)/b28-18+/t30-,33-,40+/m1/s1
    MOLECULAR FORMULA
    C40H59N5O4
    CROSS REFERENCES
    2015773 logo

    canSAR2015773

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 673.46
    AlogP 6.27
    HBond donors 2
    HBond acceptors 9
    Atoms 108
    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 canSAR2015773.