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canSAR1094346
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NAMES
    SMILES
    O=C(C1CC1)N1CCC[C@@H](Nc2cc(-n3c(-c4cccc(O)c4)nc4ccccc43)ccn2)C1
    InChI
    InChI=1S/C27H27N5O2/c33-22-7-3-5-19(15-22)26-30-23-8-1-2-9-24(23)32(26)21-12-13-28-25(16-21)29-20-6-4-14-31(17-20)27(34)18-10-11-18/h1-3,5,7-9,12-13,15-16,18,20,33H,4,6,10-11,14,17H2,(H,28,29)/t20-/m1/s1
    MOLECULAR FORMULA
    C27H27N5O2
    CROSS REFERENCES
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    canSAR1094346

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.22
    AlogP 4.61
    HBond donors 2
    HBond acceptors 7
    Atoms 61
    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 canSAR1094346.