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canSAR985545
FEATURES
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NAMES
    SMILES
    Cc1c2c(n3c1CCN(CCO)C[C@@H](C)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O
    InChI
    InChI=1S/C27H38N4O3/c1-16-15-30(10-11-32)9-8-22-17(2)25-23(13-27(4,5)14-24(25)33)31(22)19-6-7-20(26(28)34)21(12-19)29-18(16)3/h6-7,12,16,18,29,32H,8-11,13-15H2,1-5H3,(H2,28,34)/t16-,18+/m1/s1
    MOLECULAR FORMULA
    C27H38N4O3
    CROSS REFERENCES
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    canSAR985545

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.29
    AlogP 3.33
    HBond donors 4
    HBond acceptors 7
    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 canSAR985545.