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canSAR1990050
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C(O)C(O)C(O)C(O)CO)C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N(C)CC(=O)O.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C28H52N8O12.C2HF3O2/c1-13(2)9-16(34-25(46)20(14(3)4)35-26(47)23(44)22(43)21(42)17(38)12-37)24(45)32-10-18(39)33-15(7-6-8-31-28(29)30)27(48)36(5)11-19(40)41;3-2(4,5)1(6)7/h13-17,20-23,37-38,42-44H,6-12H2,1-5H3,(H,32,45)(H,33,39)(H,34,46)(H,35,47)(H,40,41)(H4,29,30,31);(H,6,7)/t15-,16-,17?,20-,21?,22?,23?;/m0./s1
    MOLECULAR FORMULA
    C30H53F3N8O14
    CROSS REFERENCES
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    canSAR1990050

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 806.36
    AlogP -5.08
    HBond donors 15
    HBond acceptors 22
    Atoms 108
    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 canSAR1990050.