canSAR1846627
FEATURES
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NAMES
    SMILES
    O=C(NS(=O)(=O)c1ccc(N[C@H](CCN2CCO[C@@H](CO)C2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1)c1ccc(N2CCC([C@@H](O)c3ccccc3-c3ccc(Cl)cc3)CC2)cc1
    InChI
    InChI=1S/C47H50ClF3N4O8S3/c48-35-14-10-32(11-15-35)41-8-4-5-9-42(41)45(57)33-20-24-55(25-21-33)37-16-12-34(13-17-37)46(58)53-66(61,62)40-18-19-43(44(28-40)65(59,60)47(49,50)51)52-36(31-64-39-6-2-1-3-7-39)22-23-54-26-27-63-38(29-54)30-56/h1-19,28,33,36,38,45,52,56-57H,20-27,29-31H2,(H,53,58)/t36-,38-,45-/m1/s1
    MOLECULAR FORMULA
    C47H50ClF3N4O8S3
    CROSS REFERENCES
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    canSAR1846627
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight986.24
    AlogP8.03
    HBond donors4
    HBond acceptors12
    Atoms116
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846627.