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canSAR176980
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NAMES
    SMILES
    N=C(N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
    InChI
    InChI=1S/C27H40N10O3/c28-20(8-4-14-34-26(30)31)24(39)37-22(25(40)36-21(23(29)38)9-5-15-35-27(32)33)16-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-13,20-22H,4-5,8-9,14-16,28H2,(H2,29,38)(H,36,40)(H,37,39)(H4,30,31,34)(H4,32,33,35)/t20-,21-,22-/m0/s1
    MOLECULAR FORMULA
    C27H40N10O3
    CROSS REFERENCES
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    canSAR176980

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 552.33
    AlogP -0.80
    HBond donors 14
    HBond acceptors 13
    Atoms 80
    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 canSAR176980.