canSAR856893
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CN(C)C)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@@]2(O)CC1=C(C)[C@@H](OC(=O)[C@H](OC(=O)CCC(=O)Oc1c(C)c(C)c3c(c1C)OC(C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC3)[C@@H](NCc1ccccc1)c1ccccc1)C2.Cl
    InChI
    InChI=1S/C82H110N2O17.ClH/c1-50(2)27-24-28-51(3)29-25-30-52(4)31-26-41-79(11)42-40-62-53(5)54(6)71(56(8)72(62)101-79)98-67(87)38-39-68(88)99-74(70(61-36-22-17-23-37-61)83-46-59-32-18-15-19-33-59)78(91)96-64-45-81(92)44-63(55(64)7)73(95-57(9)85)76(90)80(12)65(97-69(89)47-84(13)14)43-66-82(49-94-66,100-58(10)86)75(80)77(81)93-48-60-34-20-16-21-35-60;/h15-23,32-37,50-52,64-66,70,73-75,77,83,92H,24-31,38-49H2,1-14H3;1H/t51-,52-,64-,65-,66+,70-,73+,74+,75-,77-,79?,80+,81+,82-;/m0./s1
    MOLECULAR FORMULA
    C82H111ClN2O17
    CROSS REFERENCES
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    canSAR856893
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1430.76
    AlogP13.74
    HBond donors2
    HBond acceptors19
    Atoms213
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856893.