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canSAR1146485
FEATURES
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NAMES
    SMILES
    COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5ccc(Cl)cc5F)C4)C[C@@H]3C(=O)O)c2c1
    InChI
    InChI=1S/C29H32ClFN2O4/c1-37-21-4-6-27-24(15-21)23(8-10-32-27)28(34)7-2-17-9-11-33(16-25(17)29(35)36)20-12-18(13-20)22-5-3-19(30)14-26(22)31/h3-6,8,10,14-15,17-18,20,25,28,34H,2,7,9,11-13,16H2,1H3,(H,35,36)/t17-,18?,20?,25+,28+/m1/s1
    MOLECULAR FORMULA
    C29H32ClFN2O4
    CROSS REFERENCES
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    canSAR1146485

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.20
    AlogP 5.82
    HBond donors 2
    HBond acceptors 6
    Atoms 69
    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 canSAR1146485.