canSAR2094127
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1[C@H](OCCCCCNC(=O)CCCCCNC(=O)CCCSSCCCC(=O)NCCCCCC(=O)NCCCCCO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
    InChI
    InChI=1S/C58H104N6O26S2/c1-33(69)63-43-47(77)53(89-57-51(81)49(79)45(75)35(29-65)85-57)37(31-67)87-55(43)83-25-13-5-11-23-59-39(71)17-7-3-9-21-61-41(73)19-15-27-91-92-28-16-20-42(74)62-22-10-4-8-18-40(72)60-24-12-6-14-26-84-56-44(64-34(2)70)48(78)54(38(32-68)88-56)90-58-52(82)50(80)46(76)36(30-66)86-58/h35-38,43-58,65-68,75-82H,3-32H2,1-2H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,69)(H,64,70)/t35-,36-,37-,38-,43-,44-,45-,46-,47-,48-,49+,50+,51-,52-,53-,54-,55-,56-,57+,58+/m1/s1
    MOLECULAR FORMULA
    C58H104N6O26S2
    CROSS REFERENCES
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    canSAR2094127
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1364.64
    AlogP-4.58
    HBond donors18
    HBond acceptors32
    Atoms196
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094127.