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canSAR1125654
FEATURES
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NAMES
    SMILES
    NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O
    InChI
    InChI=1S/C25H31N5O4/c26-13-7-6-12-21(23(27)31)29-24(32)22(14-18-15-28-20-11-5-4-10-19(18)20)30-25(33)34-16-17-8-2-1-3-9-17/h1-5,8-11,15,21-22,28H,6-7,12-14,16,26H2,(H2,27,31)(H,29,32)(H,30,33)/t21-,22-/m0/s1
    MOLECULAR FORMULA
    C25H31N5O4
    CROSS REFERENCES
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    canSAR1125654

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.24
    AlogP 2.10
    HBond donors 7
    HBond acceptors 9
    Atoms 65
    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 canSAR1125654.