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canSAR1443082
FEATURES
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NAMES
    SMILES
    CCOCCCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O
    InChI
    InChI=1S/C21H29N3O3S/c1-2-27-14-8-13-24-20(26)17-11-6-7-12-18(17)23-21(24)28-15-19(25)22-16-9-4-3-5-10-16/h6-7,11-12,16H,2-5,8-10,13-15H2,1H3,(H,22,25)
    MOLECULAR FORMULA
    C21H29N3O3S
    CROSS REFERENCES
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    canSAR1443082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.19
    AlogP 3.36
    HBond donors 1
    HBond acceptors 6
    Atoms 57
    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 canSAR1443082.