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canSAR1065006
FEATURES
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NAMES
    SMILES
    C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1cccc(Cl)c1
    InChI
    InChI=1S/C35H37ClN6O5/c1-20(32(38)44)31(22-6-4-7-24(36)17-22)41-33(45)29(18-23-19-39-28-9-3-2-8-26(23)28)40-34(46)30-10-5-15-42(30)35(47)27(37)16-21-11-13-25(43)14-12-21/h2-4,6-9,11-14,17,19,27,29-31,39,43H,1,5,10,15-16,18,37H2,(H2,38,44)(H,40,46)(H,41,45)/t27-,29-,30-,31+/m0/s1
    MOLECULAR FORMULA
    C35H37ClN6O5
    CROSS REFERENCES
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    canSAR1065006

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 656.25
    AlogP 3.01
    HBond donors 8
    HBond acceptors 11
    Atoms 84
    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 canSAR1065006.