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canSAR778701
FEATURES
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NAMES
    SMILES
    OCCCCSCC1O[C@@H]2O[C@@H]3C(CSCCCCO)O[C@H](O[C@@H]4C(CSCCCCO)O[C@H](O[C@@H]5C(CSCCCCO)O[C@H](O[C@@H]6C(CSCCCCO)O[C@H](O[C@@H]7C(CSCCCCO)O[C@H](O[C@@H]8C(CSCCCCO)O[C@H](O[C@@H]9C(CSCCCCO)O[C@H](O[C@H]1C(O)C2O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
    InChI
    InChI=1S/C80H144O40S8/c81-17-1-9-25-121-33-41-65-49(89)57(97)73(105-41)114-66-42(34-122-26-10-2-18-82)107-75(59(99)51(66)91)116-68-44(36-124-28-12-4-20-84)109-77(61(101)53(68)93)118-70-46(38-126-30-14-6-22-86)111-79(63(103)55(70)95)120-72-48(40-128-32-16-8-24-88)112-80(64(104)56(72)96)119-71-47(39-127-31-15-7-23-87)110-78(62(102)54(71)94)117-69-45(37-125-29-13-5-21-85)108-76(60(100)52(69)92)115-67-43(35-123-27-11-3-19-83)106-74(113-65)58(98)50(67)90/h41-104H,1-40H2/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m1/s1
    MOLECULAR FORMULA
    C80H144O40S8
    CROSS REFERENCES
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    canSAR778701

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2000.70
    AlogP -5.30
    HBond donors 24
    HBond acceptors 40
    Atoms 272
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR778701.