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canSAR347250
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NAMES
    SMILES
    CCN(CC)[C@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O
    InChI
    InChI=1S/C31H45N3O4S/c1-5-32(6-2)25-20-27(35)34(28(25)36)26-19-23-12-14-31(26,29(23,3)4)21-39(37,38)33-17-15-30(16-18-33)13-11-22-9-7-8-10-24(22)30/h7-10,23,25-26H,5-6,11-21H2,1-4H3/t23?,25-,26-,31+/m0/s1
    MOLECULAR FORMULA
    C31H45N3O4S
    CROSS REFERENCES
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    canSAR347250

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.31
    AlogP 3.96
    HBond donors 0
    HBond acceptors 7
    Atoms 84
    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 canSAR347250.