canSAR821357
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1[C@H](NC(=O)CCCCCNC(=O)CN(CCOCCOCCN(CC(=O)NCCCCCC(=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)NCCCCCC(=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)NCCCCCC(=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/C94H164N14O50/c1-43(117)99-63-71(133)83(155-91-79(141)75(137)67(129)47(35-109)151-91)51(39-113)147-87(63)103-55(121)17-9-5-13-21-95-59(125)31-107(32-60(126)96-22-14-6-10-18-56(122)104-88-64(100-44(2)118)72(134)84(52(40-114)148-88)156-92-80(142)76(138)68(130)48(36-110)152-92)25-27-145-29-30-146-28-26-108(33-61(127)97-23-15-7-11-19-57(123)105-89-65(101-45(3)119)73(135)85(53(41-115)149-89)157-93-81(143)77(139)69(131)49(37-111)153-93)34-62(128)98-24-16-8-12-20-58(124)106-90-66(102-46(4)120)74(136)86(54(42-116)150-90)158-94-82(144)78(140)70(132)50(38-112)154-94/h47-54,63-94,109-116,129-144H,5-42H2,1-4H3,(H,95,125)(H,96,126)(H,97,127)(H,98,128)(H,99,117)(H,100,118)(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)(H,106,124)/t47-,48-,49-,50-,51-,52-,53-,54-,63-,64-,65-,66-,67+,68+,69+,70+,71-,72-,73-,74-,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92+,93+,94+/m1/s1
    MOLECULAR FORMULA
    C94H164N14O50
    CROSS REFERENCES
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    canSAR821357
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2289.07
    AlogP-20.13
    HBond donors36
    HBond acceptors64
    Atoms322
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR821357.