930348 logo
canSAR930348
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CC(=O)N1CCCC(Nc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc3[nH]cnc23)C1
    InChI
    InChI=1S/C25H31N9O2/c1-3-20(35)34-10-4-5-19(15-34)28-23-21-22(27-16-26-21)30-25(31-23)29-18-8-6-17(7-9-18)24(36)33-13-11-32(2)12-14-33/h3,6-9,16,19H,1,4-5,10-15H2,2H3,(H3,26,27,28,29,30,31)
    MOLECULAR FORMULA
    C25H31N9O2
    CROSS REFERENCES
    930348 logo

    canSAR930348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.26
    AlogP 2.07
    HBond donors 3
    HBond acceptors 11
    Atoms 67
    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 canSAR930348.