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canSAR1146484
FEATURES
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NAMES
    SMILES
    CCCCCNC(=S)Nc1cc(/C=C/C(=O)NO)ccc1OCCN(CC)CC
    InChI
    InChI=1S/C21H34N4O3S/c1-4-7-8-13-22-21(29)23-18-16-17(10-12-20(26)24-27)9-11-19(18)28-15-14-25(5-2)6-3/h9-12,16,27H,4-8,13-15H2,1-3H3,(H,24,26)(H2,22,23,29)/b12-10+
    MOLECULAR FORMULA
    C21H34N4O3S
    CROSS REFERENCES
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    canSAR1146484

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.24
    AlogP 3.40
    HBond donors 4
    HBond acceptors 7
    Atoms 63
    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 canSAR1146484.