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canSAR1446846
FEATURES
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NAMES
    SMILES
    CC(C)CC1C(=O)N(Cc2cn(CCC3OCCCO3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(CO)c2)cc1
    InChI
    InChI=1S/C31H41N5O6S/c1-23(2)17-29-31(38)34(20-28-21-35(33-32-28)12-11-30-41-14-4-15-42-30)13-16-43(39,40)36(29)19-24-7-9-26(10-8-24)27-6-3-5-25(18-27)22-37/h3,5-10,18,21,23,29-30,37H,4,11-17,19-20,22H2,1-2H3
    MOLECULAR FORMULA
    C31H41N5O6S
    CROSS REFERENCES
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    canSAR1446846

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 611.28
    AlogP 3.18
    HBond donors 1
    HBond acceptors 11
    Atoms 84
    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 canSAR1446846.