canSAR861736
FEATURES
Loading...
NAMES
    SMILES
    C[C@@H](O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3ccc(N4CCNCC4)cc3)cc2)CC1)C(=O)NO
    InChI
    InChI=1S/C27H34N6O4/c1-20(34)25(26(35)30-37)29-27(36)33-18-16-32(17-19-33)24-10-6-22(7-11-24)3-2-21-4-8-23(9-5-21)31-14-12-28-13-15-31/h4-11,20,25,28,34,37H,12-19H2,1H3,(H,29,36)(H,30,35)/t20-,25-/m1/s1
    MOLECULAR FORMULA
    C27H34N6O4
    CROSS REFERENCES
    Loading...
    canSAR861736
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight506.26
    AlogP0.58
    HBond donors5
    HBond acceptors10
    Atoms71
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR861736.