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canSAR835854
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1[C@H](NC(=O)CN(CCOCCOCCN(CC(=O)N[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)CC(=O)N[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)CC(=O)N[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/C70H120N10O46/c1-23(89)71-39-47(101)59(123-67-55(109)51(105)43(97)27(15-81)119-67)31(19-85)115-63(39)75-35(93)11-79(12-36(94)76-64-40(72-24(2)90)48(102)60(32(20-86)116-64)124-68-56(110)52(106)44(98)28(16-82)120-68)5-7-113-9-10-114-8-6-80(13-37(95)77-65-41(73-25(3)91)49(103)61(33(21-87)117-65)125-69-57(111)53(107)45(99)29(17-83)121-69)14-38(96)78-66-42(74-26(4)92)50(104)62(34(22-88)118-66)126-70-58(112)54(108)46(100)30(18-84)122-70/h27-34,39-70,81-88,97-112H,5-22H2,1-4H3,(H,71,89)(H,72,90)(H,73,91)(H,74,92)(H,75,93)(H,76,94)(H,77,95)(H,78,96)/t27-,28-,29-,30-,31-,32-,33-,34-,39-,40-,41-,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+/m1/s1
    MOLECULAR FORMULA
    C70H120N10O46
    CROSS REFERENCES
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    canSAR835854

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1836.74
    AlogP -22.84
    HBond donors 32
    HBond acceptors 56
    Atoms 246
    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 canSAR835854.