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canSAR1828989
FEATURES
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NAMES
    SMILES
    CCCc1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@H](CO)O2)nn1
    InChI
    InChI=1S/C25H32N4O4S/c1-2-6-21-17-29(28-26-21)16-15-22-11-14-24(25(18-30)33-22)27-34(31,32)23-12-9-20(10-13-23)19-7-4-3-5-8-19/h3-5,7-10,12-13,17,22,24-25,27,30H,2,6,11,14-16,18H2,1H3/t22-,24-,25+/m1/s1
    MOLECULAR FORMULA
    C25H32N4O4S
    CROSS REFERENCES
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    canSAR1828989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.21
    AlogP 3.17
    HBond donors 2
    HBond acceptors 8
    Atoms 66
    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 canSAR1828989.