1152226 logo
canSAR1152226
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)O[C@@H]1C[C@@H]2C[C@@H](N=[N+]=[N-])CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]21
    InChI
    InChI=1S/C26H41N3O4/c1-15(5-8-23(31)32)19-6-7-20-24-21(10-12-26(19,20)4)25(3)11-9-18(28-29-27)13-17(25)14-22(24)33-16(2)30/h15,17-22,24H,5-14H2,1-4H3,(H,31,32)/t15-,17+,18+,19-,20+,21+,22-,24+,25+,26-/m1/s1
    MOLECULAR FORMULA
    C26H41N3O4
    CROSS REFERENCES
    1152226 logo

    canSAR1152226

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.31
    AlogP 6.37
    HBond donors 1
    HBond acceptors 7
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1152226.