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canSAR186383
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)C1Cc2c([nH]c3ccccc23)CN1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CO)C(=O)O
    InChI
    InChI=1S/C27H37N9O9/c28-27(29)30-7-3-6-16(35-24(42)17-8-14-13-4-1-2-5-15(13)33-19(14)10-31-17)23(41)32-11-21(38)34-18(9-22(39)40)25(43)36-20(12-37)26(44)45/h1-2,4-5,16-18,20,31,33,37H,3,6-12H2,(H,32,41)(H,34,38)(H,35,42)(H,36,43)(H,39,40)(H,44,45)(H4,28,29,30)/t16-,17?,18-,20+/m0/s1
    MOLECULAR FORMULA
    C27H37N9O9
    CROSS REFERENCES
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    canSAR186383

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.27
    AlogP -3.43
    HBond donors 13
    HBond acceptors 18
    Atoms 82
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR186383.