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canSAR562720
FEATURES
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NAMES
    SMILES
    CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1.O=C(O)C(=O)O
    InChI
    InChI=1S/C24H30N2O5S.C2H2O4/c1-3-13-25(18-16-20-21(30-2)10-8-11-22(20)31-17-18)14-6-7-15-26-24(27)19-9-4-5-12-23(19)32(26,28)29;3-1(4)2(5)6/h4-5,8-12,18H,3,6-7,13-17H2,1-2H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C26H32N2O9S
    CROSS REFERENCES
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    canSAR562720

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.18
    AlogP 2.49
    HBond donors 2
    HBond acceptors 11
    Atoms 70
    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 canSAR562720.