canSAR1503073
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@]12CCCCN1[C@H](c1ccc(SC3CCCCC3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C25H32N2O4S.C2HF3O2/c1-26-22(28)19-20(23(26)29)25(24(30)31-2)14-6-7-15-27(25)21(19)16-10-12-18(13-11-16)32-17-8-4-3-5-9-17;3-2(4,5)1(6)7/h10-13,17,19-21H,3-9,14-15H2,1-2H3;(H,6,7)/t19-,20-,21-,25+;/m1./s1
    MOLECULAR FORMULA
    C27H33F3N2O6S
    CROSS REFERENCES
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    canSAR1503073
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight570.20
    AlogP4.43
    HBond donors1
    HBond acceptors8
    Atoms72
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503073.