canSAR818786
FEATURES
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NAMES
    SMILES
    CCCCCC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](Oc3ccc(C[C@H]4NC(=O)[C@H]([C@@H](C)c5ccccc5)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]5CNC(N)N5[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)NC(=O)[C@H]([C@@H](O)[C@@H]5CNC(N)N5)NC4=O)cc3)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C60H92N12O26/c1-3-4-6-11-36(77)93-23-34-43(81)45(83)48(86)58(97-34)98-50-33(22-75)96-57(49(87)46(50)84)94-27-14-12-25(13-15-27)16-28-52(89)70-38(40(78)29-17-64-59(61)68-29)55(92)71-39(41(79)31-18-65-60(62)72(31)56-47(85)44(82)42(80)32(21-74)95-56)54(91)67-30(20-73)51(88)63-19-35(76)69-37(53(90)66-28)24(2)26-9-7-5-8-10-26/h5,7-10,12-15,24,28-34,37-50,56-60,64-65,68,73-75,78-87H,3-4,6,11,16-23,61-62H2,1-2H3,(H,63,88)(H,66,90)(H,67,91)(H,69,76)(H,70,89)(H,71,92)/t24-,28+,29-,30-,31-,32+,33+,34+,37-,38-,39+,40-,41-,42+,43+,44-,45-,46+,47-,48-,49-,50+,56-,57-,58+,59?,60?/m0/s1
    MOLECULAR FORMULA
    C60H92N12O26
    CROSS REFERENCES
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    canSAR818786
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1396.62
    AlogP-12.45
    HBond donors26
    HBond acceptors38
    Atoms190
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818786.