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canSAR1061458
FEATURES
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NAMES
    SMILES
    C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)C
    InChI
    InChI=1S/C35H57N3O6/c1-23(2)22-36-32(41)24(3)18-30(39)28(20-26-14-10-8-11-15-26)37-33(42)25(4)19-31(40)29(21-27-16-12-9-13-17-27)38-34(43)44-35(5,6)7/h9,12-13,16-17,23,25-26,28-31,39-40H,3,8,10-11,14-15,18-22H2,1-2,4-7H3,(H,36,41)(H,37,42)(H,38,43)/t25-,28+,29+,30+,31-/m1/s1
    MOLECULAR FORMULA
    C35H57N3O6
    CROSS REFERENCES
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    canSAR1061458

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 615.42
    AlogP 5.04
    HBond donors 5
    HBond acceptors 9
    Atoms 101
    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 canSAR1061458.