canSAR1087132
FEATURES
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NAMES
    SMILES
    CC[C@]1(NC(=S)NCCc2ccc(F)cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
    InChI
    InChI=1S/C55H67FN6O8S/c1-8-51(59-50(71)57-23-19-34-15-17-36(56)18-16-34)29-35-30-54(48(64)68-6,44-38(20-25-61(31-35)32-51)37-13-10-11-14-41(37)58-44)40-27-39-42(28-43(40)67-5)60(4)46-53(39)22-26-62-24-12-21-52(9-2,45(53)62)47(70-33(3)63)55(46,66)49(65)69-7/h10-18,21,27-28,35,45-47,58,66H,8-9,19-20,22-26,29-32H2,1-7H3,(H2,57,59,71)/t35-,45+,46-,47-,51+,52-,53-,54+,55+/m1/s1
    MOLECULAR FORMULA
    C55H67FN6O8S
    CROSS REFERENCES
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    canSAR1087132
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight990.47
    AlogP5.84
    HBond donors4
    HBond acceptors14
    Atoms138
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087132.