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canSAR1770040
FEATURES
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NAMES
    SMILES
    CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCC2CCC(O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
    InChI
    InChI=1S/C30H36Cl2FN3O3/c1-29(2,3)15-23-30(20-10-8-17(31)14-22(20)35-28(30)39)24(19-5-4-6-21(32)25(19)33)26(36-23)27(38)34-12-11-16-7-9-18(37)13-16/h4-6,8,10,14,16,18,23-24,26,36-37H,7,9,11-13,15H2,1-3H3,(H,34,38)(H,35,39)/t16?,18?,23-,24+,26-,30+/m1/s1
    MOLECULAR FORMULA
    C30H36Cl2FN3O3
    CROSS REFERENCES
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    canSAR1770040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 575.21
    AlogP 5.55
    HBond donors 4
    HBond acceptors 6
    Atoms 75
    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 canSAR1770040.