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canSAR467722
FEATURES
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NAMES
    SMILES
    O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(/C(S)=N/CCCCC2CCCCC2)co1
    InChI
    InChI=1S/C30H40N2O4S/c33-27(34)16-13-21-11-4-5-12-22(21)18-23-25-14-15-26(36-25)28(23)29-32-24(19-35-29)30(37)31-17-7-6-10-20-8-2-1-3-9-20/h4-5,11-12,19-20,23,25-26,28H,1-3,6-10,13-18H2,(H,31,37)(H,33,34)
    MOLECULAR FORMULA
    C30H40N2O4S
    CROSS REFERENCES
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    canSAR467722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.27
    AlogP 6.62
    HBond donors 1
    HBond acceptors 6
    Atoms 77
    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 canSAR467722.