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canSAR2091512
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NAMES
    SMILES
    O=C(NO)c1cccc(-c2cn([C@@H]3C[C@@H](CO)N(CCc4ccccc4)C3)nn2)c1
    InChI
    InChI=1S/C22H25N5O3/c28-15-20-12-19(13-26(20)10-9-16-5-2-1-3-6-16)27-14-21(23-25-27)17-7-4-8-18(11-17)22(29)24-30/h1-8,11,14,19-20,28,30H,9-10,12-13,15H2,(H,24,29)/t19-,20+/m1/s1
    MOLECULAR FORMULA
    C22H25N5O3
    CROSS REFERENCES
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    canSAR2091512

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.20
    AlogP 1.91
    HBond donors 3
    HBond acceptors 8
    Atoms 55
    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 canSAR2091512.