987075 logo
canSAR987075
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(NCc1ccccc1)c1cnc(N2CCN(CC3CCCOC3)CC2)nc1NC1CC1
    InChI
    InChI=1S/C25H34N6O2/c32-24(26-15-19-5-2-1-3-6-19)22-16-27-25(29-23(22)28-21-8-9-21)31-12-10-30(11-13-31)17-20-7-4-14-33-18-20/h1-3,5-6,16,20-21H,4,7-15,17-18H2,(H,26,32)(H,27,28,29)
    MOLECULAR FORMULA
    C25H34N6O2
    CROSS REFERENCES
    987075 logo

    canSAR987075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.27
    AlogP 2.53
    HBond donors 2
    HBond acceptors 8
    Atoms 67
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR987075.