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canSAR1206554
FEATURES
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NAMES
    SMILES
    C[C@@H](NC(=O)[C@H](CCCCNC(=O)CI)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)OC(C)(C)C
    InChI
    InChI=1S/C23H41IN4O7/c1-14(18(30)27-15(2)20(32)34-22(3,4)5)26-19(31)16(28-21(33)35-23(6,7)8)11-9-10-12-25-17(29)13-24/h14-16H,9-13H2,1-8H3,(H,25,29)(H,26,31)(H,27,30)(H,28,33)/t14-,15-,16+/m1/s1
    MOLECULAR FORMULA
    C23H41IN4O7
    CROSS REFERENCES
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    canSAR1206554

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 612.20
    AlogP 1.95
    HBond donors 4
    HBond acceptors 11
    Atoms 76
    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 canSAR1206554.