canSAR737858
FEATURES
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NAMES
    SMILES
    CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)cc1)C(=O)NS(=O)(=O)c1ccccc1
    InChI
    InChI=1S/C45H51N5O9S/c1-8-15-35(41(51)50-60(55,56)33-18-13-10-14-19-33)47-43(53)40(48-42(52)39(28(2)3)49-44(54)59-45(4,5)6)30-20-22-31(23-21-30)58-38-27-36(29-16-11-9-12-17-29)46-37-26-32(57-7)24-25-34(37)38/h9-14,16-28,35,39-40H,8,15H2,1-7H3,(H,47,53)(H,48,52)(H,49,54)(H,50,51)/t35-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C45H51N5O9S
    CROSS REFERENCES
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    canSAR737858
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight837.34
    AlogP7.20
    HBond donors4
    HBond acceptors14
    Atoms111
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR737858.