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canSAR350661
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H](CCSC)NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1ccccc1C
    InChI
    InChI=1S/C26H32N4O3S/c1-4-33-26(32)24(11-12-34-3)30-25(31)22-10-9-19(14-27-15-20-16-28-17-29-20)13-23(22)21-8-6-5-7-18(21)2/h5-10,13,16-17,24,27H,4,11-12,14-15H2,1-3H3,(H,28,29)(H,30,31)/t24-/m0/s1
    MOLECULAR FORMULA
    C26H32N4O3S
    CROSS REFERENCES
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    canSAR350661

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 480.22
    AlogP 4.09
    HBond donors 3
    HBond acceptors 7
    Atoms 66
    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 canSAR350661.