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canSAR152205
FEATURES
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NAMES
    SMILES
    COC(=O)CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC21C
    InChI
    InChI=1S/C28H36ClFO7/c1-16-12-20-19-9-8-17-13-18(31)10-11-25(17,2)27(19,30)21(32)14-26(20,3)28(16,22(33)15-29)37-24(35)7-5-6-23(34)36-4/h10-11,13,16,19-21,32H,5-9,12,14-15H2,1-4H3/t16-,19?,20?,21-,25?,26?,27-,28-/m0/s1
    MOLECULAR FORMULA
    C28H36ClFO7
    CROSS REFERENCES
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    canSAR152205

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 538.21
    AlogP 4.04
    HBond donors 1
    HBond acceptors 7
    Atoms 73
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR152205.