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canSAR126579
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
    InChI
    InChI=1S/C43H48ClN9O5/c44-31-19-17-29(18-20-31)23-36(50-38(54)24-28-12-5-2-6-13-28)41(57)53-37(22-27-10-3-1-4-11-27)42(58)51-34(16-9-21-48-43(46)47)40(56)52-35(39(45)55)25-30-26-49-33-15-8-7-14-32(30)33/h1-8,10-15,17-20,26,34-37,49H,9,16,21-25H2,(H2,45,55)(H,50,54)(H,51,58)(H,52,56)(H,53,57)(H4,46,47,48)/t34-,35-,36-,37-/m0/s1
    MOLECULAR FORMULA
    C43H48ClN9O5
    CROSS REFERENCES
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    canSAR126579

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 805.35
    AlogP 2.78
    HBond donors 11
    HBond acceptors 14
    Atoms 106
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR126579.