canSAR1087452
FEATURES
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NAMES
    SMILES
    CC[C@]1(NC(=O)NC2CCCCC2)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/C53H70N6O9/c1-8-49(56-48(63)54-34-16-11-10-12-17-34)28-33-29-52(46(61)66-6,42-36(20-24-58(30-33)31-49)35-18-13-14-19-39(35)55-42)38-26-37-40(27-41(38)65-5)57(4)44-51(37)22-25-59-23-15-21-50(9-2,43(51)59)45(68-32(3)60)53(44,64)47(62)67-7/h13-15,18-19,21,26-27,33-34,43-45,55,64H,8-12,16-17,20,22-25,28-31H2,1-7H3,(H2,54,56,63)/t33-,43+,44-,45-,49+,50-,51-,52+,53+/m1/s1
    MOLECULAR FORMULA
    C53H70N6O9
    CROSS REFERENCES
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    canSAR1087452
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight934.52
    AlogP5.63
    HBond donors4
    HBond acceptors15
    Atoms138
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087452.