canSAR174657
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C(O[C@H]3C[C@H](OC)C(O[C@H]4C[C@H](OC)[C@@H](OCCN5CCNCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=CC(C(=O)O1)C34O)O2
    InChI
    InChI=1S/C54H84N2O14/c1-11-31(2)48-34(5)17-18-53(70-48)29-40-26-39(69-53)16-15-33(4)47(32(3)13-12-14-38-30-63-51-46(57)35(6)25-41(52(58)66-40)54(38,51)59)67-44-28-43(61-10)50(37(8)65-44)68-45-27-42(60-9)49(36(7)64-45)62-24-23-56-21-19-55-20-22-56/h12-15,17-18,25,31-32,34,36-37,39-51,55,57,59H,11,16,19-24,26-30H2,1-10H3/b13-12+,33-15+,38-14+/t31?,32-,34-,36-,37-,39+,40-,41?,42-,43-,44-,45-,46+,47?,48+,49-,50?,51+,53+,54?/m0/s1
    MOLECULAR FORMULA
    C54H84N2O14
    CROSS REFERENCES
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    canSAR174657
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight984.59
    AlogP5.31
    HBond donors3
    HBond acceptors16
    Atoms154
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR174657.