canSAR2099726
FEATURES
Loading...
NAMES
    SMILES
    Cc1noc(-c2ccccc2)c1CN1CCC[C@H](N=C(O)N2CCc3[nH]nc(-c4ccncc4)c3C2)C1
    InChI
    InChI=1S/C28H31N7O2/c1-19-23(27(37-33-19)21-6-3-2-4-7-21)17-34-14-5-8-22(16-34)30-28(36)35-15-11-25-24(18-35)26(32-31-25)20-9-12-29-13-10-20/h2-4,6-7,9-10,12-13,22H,5,8,11,14-18H2,1H3,(H,30,36)(H,31,32)/t22-/m0/s1
    MOLECULAR FORMULA
    C28H31N7O2
    CROSS REFERENCES
    Loading...
    canSAR2099726
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight497.25
    AlogP4.37
    HBond donors2
    HBond acceptors9
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2099726.