1717716 logo
canSAR1717716
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNCC1CCn2c(c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)C1.Cl
    InChI
    InChI=1S/C27H26N4O2.ClH/c1-28-14-16-11-12-31-21-10-6-4-8-18(21)23(22(31)13-16)25-24(26(32)29-27(25)33)19-15-30(2)20-9-5-3-7-17(19)20;/h3-10,15-16,28H,11-14H2,1-2H3,(H,29,32,33);1H
    MOLECULAR FORMULA
    C27H27ClN4O2
    CROSS REFERENCES
    1717716 logo

    canSAR1717716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.18
    AlogP 3.90
    HBond donors 2
    HBond acceptors 6
    Atoms 61
    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 canSAR1717716.