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canSAR1766421
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NAMES
    SMILES
    NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2c(c1)OCO2
    InChI
    InChI=1S/C31H37N9O6/c32-28(42)22(7-4-12-36-31(33)34)39-29(43)23(13-19-5-2-1-3-6-19)40-30(44)24(15-21-16-35-17-37-21)38-27(41)11-9-20-8-10-25-26(14-20)46-18-45-25/h1-3,5-6,8-11,14,16-17,22-24H,4,7,12-13,15,18H2,(H2,32,42)(H,35,37)(H,38,41)(H,39,43)(H,40,44)(H4,33,34,36)/t22-,23-,24+/m1/s1
    MOLECULAR FORMULA
    C31H37N9O6
    CROSS REFERENCES
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    canSAR1766421

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.29
    AlogP -0.37
    HBond donors 10
    HBond acceptors 15
    Atoms 83
    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 canSAR1766421.