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canSAR844614
FEATURES
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NAMES
    SMILES
    COc1ccc2c3c1O[C@H]1[C@]4(OC)C=C[C@@]5(C[C@@H]4c4cccc([N+](=O)[O-])c4)[C@@H](C2)N(C)CC[C@]315
    InChI
    InChI=1S/C27H28N2O5/c1-28-12-11-26-22-17-7-8-20(32-2)23(22)34-24(26)27(33-3)10-9-25(26,21(28)14-17)15-19(27)16-5-4-6-18(13-16)29(30)31/h4-10,13,19,21,24H,11-12,14-15H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1
    MOLECULAR FORMULA
    C27H28N2O5
    CROSS REFERENCES
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    canSAR844614

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.20
    AlogP 3.99
    HBond donors 0
    HBond acceptors 7
    Atoms 62
    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 canSAR844614.