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canSAR1986189
FEATURES
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NAMES
    SMILES
    CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3CCC(O)CC3)s2)c1
    InChI
    InChI=1S/C30H35N5O6S/c1-3-39-14-15-40-25-18-24-20(7-13-35(24)30(38)31-2)16-26(25)41-22-6-10-32-28(17-22)33-29(37)27-5-4-23(42-27)19-34-11-8-21(36)9-12-34/h4-7,10,13,16-18,21,36H,3,8-9,11-12,14-15,19H2,1-2H3,(H,31,38)(H,32,33,37)
    MOLECULAR FORMULA
    C30H35N5O6S
    CROSS REFERENCES
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    canSAR1986189

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 593.23
    AlogP 4.70
    HBond donors 3
    HBond acceptors 11
    Atoms 77
    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 canSAR1986189.