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canSAR16204
FEATURES
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NAMES
    SMILES
    C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCS(=O)(=O)CC1
    InChI
    InChI=1S/C31H35F6N5O4S/c1-21(39-46-11-8-40-9-12-47(44,45)13-10-40)19-41-6-7-42(26(20-41)16-23-18-38-28-5-3-2-4-27(23)28)29(43)22-14-24(30(32,33)34)17-25(15-22)31(35,36)37/h2-5,14-15,17-18,26,38H,6-13,16,19-20H2,1H3/b39-21-/t26-/m1/s1
    MOLECULAR FORMULA
    C31H35F6N5O4S
    CROSS REFERENCES
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    canSAR16204

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 687.23
    AlogP 4.70
    HBond donors 1
    HBond acceptors 9
    Atoms 82
    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 canSAR16204.