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canSAR1156921
FEATURES
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NAMES
    SMILES
    CCc1cc(-c2noc(-c3cnc(C(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
    InChI
    InChI=1S/C27H36N4O5/c1-6-18(7-2)24-16(4)9-21(12-29-24)27-30-26(31-36-27)20-10-17(5)25(19(8-3)11-20)35-15-22(33)13-28-23(34)14-32/h9-12,18,22,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t22-/m0/s1
    MOLECULAR FORMULA
    C27H36N4O5
    CROSS REFERENCES
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    canSAR1156921

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.27
    AlogP 3.73
    HBond donors 3
    HBond acceptors 9
    Atoms 72
    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 canSAR1156921.