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canSAR1594414
FEATURES
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NAMES
    SMILES
    CN(C)C(CNC(=O)c1oc2ccccc2c1CSc1nc[nH]n1)c1ccco1
    InChI
    InChI=1S/C20H21N5O3S/c1-25(2)15(17-8-5-9-27-17)10-21-19(26)18-14(11-29-20-22-12-23-24-20)13-6-3-4-7-16(13)28-18/h3-9,12,15H,10-11H2,1-2H3,(H,21,26)(H,22,23,24)
    MOLECULAR FORMULA
    C20H21N5O3S
    CROSS REFERENCES
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    canSAR1594414

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.14
    AlogP 3.47
    HBond donors 2
    HBond acceptors 8
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1594414.