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canSAR1012522
FEATURES
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NAMES
    SMILES
    COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c(F)ccc(CS(C)(=O)=O)c21
    InChI
    InChI=1S/C30H36F3N3O5S/c1-41-13-3-12-35-16-20(27-25(32)8-4-19(28(27)35)18-42(2,39)40)17-36(22-6-7-22)29(37)23-15-34-11-10-30(23,38)21-5-9-24(31)26(33)14-21/h4-5,8-9,14,16,22-23,34,38H,3,6-7,10-13,15,17-18H2,1-2H3/t23-,30+/m1/s1
    MOLECULAR FORMULA
    C30H36F3N3O5S
    CROSS REFERENCES
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    canSAR1012522

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 607.23
    AlogP 3.63
    HBond donors 2
    HBond acceptors 8
    Atoms 78
    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 canSAR1012522.