1203927 logo
canSAR1203927
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/Oc5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O
    InChI
    InChI=1S/C25H32N2O4/c1-24-13-11-17(26-31-19-6-4-18(5-7-19)27(29)30)15-16(24)3-8-20-21-9-10-23(28)25(21,2)14-12-22(20)24/h4-7,15,20-23,28H,3,8-14H2,1-2H3/b26-17+/t20-,21-,22-,23-,24-,25-/m0/s1
    MOLECULAR FORMULA
    C25H32N2O4
    CROSS REFERENCES
    1203927 logo

    canSAR1203927

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.24
    AlogP 5.65
    HBond donors 1
    HBond acceptors 6
    Atoms 63
    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 canSAR1203927.