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canSAR1826570
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NAMES
    SMILES
    Cl.Cl.NCCCC[C@@H](N)C(=O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
    InChI
    InChI=1S/C25H27N3O3.2ClH/c26-14-6-5-12-20(27)21(29)13-7-15-28-23-17-9-2-3-10-18(17)24(30)22(23)16-8-1-4-11-19(16)25(28)31;;/h1-4,8-11,20H,5-7,12-15,26-27H2;2*1H/t20-;;/m1../s1
    MOLECULAR FORMULA
    C25H29Cl2N3O3
    CROSS REFERENCES
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    canSAR1826570

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.16
    AlogP 3.86
    HBond donors 4
    HBond acceptors 6
    Atoms 62
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1826570.