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canSAR1593472
FEATURES
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NAMES
    SMILES
    N=C(N)c1ccc(CC2NC(=O)N(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)c3ccccc3)C2=O)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C25H26N6O8.C2HF3O2/c26-21(27)15-8-6-13(7-9-15)10-17-23(36)31(25(39)29-17)12-18(32)28-16(11-19(33)34)22(35)30-20(24(37)38)14-4-2-1-3-5-14;3-2(4,5)1(6)7/h1-9,16-17,20H,10-12H2,(H3,26,27)(H,28,32)(H,29,39)(H,30,35)(H,33,34)(H,37,38);(H,6,7)/t16-,17?,20-;/m0./s1
    MOLECULAR FORMULA
    C27H27F3N6O10
    CROSS REFERENCES
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    canSAR1593472

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 652.17
    AlogP -0.03
    HBond donors 9
    HBond acceptors 16
    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 canSAR1593472.