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canSAR1832017
FEATURES
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NAMES
    SMILES
    COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(=O)NC(C)C)[C@@H]2C(=O)N(C)C(=O)[C@@H]21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C22H30N4O5.C2HF3O2/c1-13(2)23-21(30)25(3)12-15-16-17(19(28)26(4)18(16)27)22(24-15,20(29)31-5)11-14-9-7-6-8-10-14;3-2(4,5)1(6)7/h6-10,13,15-17,24H,11-12H2,1-5H3,(H,23,30);(H,6,7)/t15-,16+,17-,22-;/m1./s1
    MOLECULAR FORMULA
    C24H31F3N4O7
    CROSS REFERENCES
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    canSAR1832017

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.21
    AlogP 1.03
    HBond donors 3
    HBond acceptors 11
    Atoms 69
    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 canSAR1832017.