837075 logo
canSAR837075
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCN(CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)CC(=O)n1c2c(ccc1=O)[C@@]13CC(C)=C[C@@H](C2)[C@H]1CCCN3
    InChI
    InChI=1S/C39H49N5O4/c1-4-14-42(22-36(47)43-15-6-8-29-26-17-25(3)21-39(29,43)30-9-11-34(45)41-32(30)18-26)23-37(48)44-33-19-27-16-24(2)20-38(28(27)7-5-13-40-38)31(33)10-12-35(44)46/h9-12,16-17,26-29,40H,4-8,13-15,18-23H2,1-3H3,(H,41,45)/t26-,27-,28+,29+,38+,39+/m0/s1
    MOLECULAR FORMULA
    C39H49N5O4
    CROSS REFERENCES
    837075 logo

    canSAR837075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 651.38
    AlogP 4.26
    HBond donors 2
    HBond acceptors 9
    Atoms 97
    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 canSAR837075.