canSAR947317
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1C(OCCCCCCNC(=O)CNC(=O)CN(CC(=O)NCC(=O)NCCCCCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(CCCCNC(=O)OCc2ccccc2)C(=O)NCC(=O)NCCCCCCOC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C66H111N11O26/c1-40(81)74-53-59(92)56(89)45(36-78)101-63(53)97-28-18-7-4-14-24-67-48(84)31-71-51(87)34-77(35-52(88)72-32-49(85)68-25-15-5-8-19-29-98-64-54(75-41(2)82)60(93)57(90)46(37-79)102-64)44(23-13-17-27-70-66(96)100-39-43-21-11-10-12-22-43)62(95)73-33-50(86)69-26-16-6-9-20-30-99-65-55(76-42(3)83)61(94)58(91)47(38-80)103-65/h10-12,21-22,44-47,53-61,63-65,78-80,89-94H,4-9,13-20,23-39H2,1-3H3,(H,67,84)(H,68,85)(H,69,86)(H,70,96)(H,71,87)(H,72,88)(H,73,95)(H,74,81)(H,75,82)(H,76,83)/t44?,45-,46-,47-,53-,54-,55-,56+,57+,58+,59-,60-,61-,63?,64?,65?/m1/s1
    MOLECULAR FORMULA
    C66H111N11O26
    CROSS REFERENCES
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    canSAR947317
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1473.77
    AlogP-5.99
    HBond donors19
    HBond acceptors37
    Atoms214
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR947317.