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canSAR1969019
FEATURES
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NAMES
    SMILES
    CC(=O)c1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)cc2)nn1
    InChI
    InChI=1S/C20H22N6O2/c1-12(27)18-11-26(25-24-18)17-6-2-13(3-7-17)8-16(10-21)23-20(28)19-14-4-5-15(9-14)22-19/h2-3,6-7,11,14-16,19,22H,4-5,8-9H2,1H3,(H,23,28)/t14-,15+,16-,19-/m0/s1
    MOLECULAR FORMULA
    C20H22N6O2
    CROSS REFERENCES
    1969019 logo

    canSAR1969019

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.18
    AlogP 1.16
    HBond donors 2
    HBond acceptors 8
    Atoms 50
    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 canSAR1969019.