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canSAR1151325
FEATURES
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NAMES
    SMILES
    CCCCCC[C@@H](CCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCCCCC3=C[C@H](C)OC3=O)OC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)O2)O1)OC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
    InChI
    InChI=1S/C69H116N6O13S2/c1-3-4-5-17-29-50(85-63(79)37-19-14-25-43-70-61(77)35-23-21-33-59-65-51(46-89-59)72-68(82)74-65)30-27-31-53(76)54-39-40-57(86-54)58-42-41-56(87-58)55(32-18-13-11-9-7-6-8-10-12-16-28-49-45-48(2)84-67(49)81)88-64(80)38-20-15-26-44-71-62(78)36-24-22-34-60-66-52(47-90-60)73-69(83)75-66/h45,48,50-60,65-66,76H,3-44,46-47H2,1-2H3,(H,70,77)(H,71,78)(H2,72,74,82)(H2,73,75,83)/t48-,50-,51-,52-,53-,54+,55+,56+,57+,58+,59-,60-,65-,66-/m0/s1
    MOLECULAR FORMULA
    C69H116N6O13S2
    CROSS REFERENCES
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    canSAR1151325

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1300.80
    AlogP 11.76
    HBond donors 7
    HBond acceptors 19
    Atoms 206
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1151325.