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canSAR1144914
FEATURES
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NAMES
    SMILES
    NC(=O)[C@@H]1C/N=C(/N)NC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1
    InChI
    InChI=1S/C27H35N9O6/c28-18(10-16-6-8-17(37)9-7-16)24(40)36-21-13-33-27(30)32-12-20(23(29)39)35-26(42)19(11-15-4-2-1-3-5-15)34-22(38)14-31-25(21)41/h1-9,18-21,37H,10-14,28H2,(H2,29,39)(H,31,41)(H,34,38)(H,35,42)(H,36,40)(H3,30,32,33)/t18-,19-,20-,21+/m0/s1
    MOLECULAR FORMULA
    C27H35N9O6
    CROSS REFERENCES
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    canSAR1144914

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 581.27
    AlogP -3.52
    HBond donors 12
    HBond acceptors 15
    Atoms 77
    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 canSAR1144914.