canSAR86676
FEATURES
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NAMES
    SMILES
    COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=C(NCCCCCCCCCNC3=C4NC(=O)/C(C)=C/C=C\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)CC(=C(OC)C3=O)C4=O)C1=O)C2=O
    InChI
    InChI=1S/C67H98N6O18/c1-36-30-44-56(76)52(72-64(80)38(3)24-22-26-46(84-9)60(90-66(68)82)42(7)34-40(5)54(74)48(32-36)86-11)50(58(78)62(44)88-13)70-28-20-18-16-15-17-19-21-29-71-51-53-57(77)45(63(89-14)59(51)79)31-37(2)33-49(87-12)55(75)41(6)35-43(8)61(91-67(69)83)47(85-10)27-23-25-39(4)65(81)73-53/h22-27,34-37,40-41,46-49,54-55,60-61,70-71,74-75H,15-21,28-33H2,1-14H3,(H2,68,82)(H2,69,83)(H,72,80)(H,73,81)/b26-22-,27-23-,38-24+,39-25+,42-34+,43-35+/t36-,37-,40+,41+,46+,47+,48+,49+,54-,55-,60+,61+/m1/s1
    MOLECULAR FORMULA
    C67H98N6O18
    CROSS REFERENCES
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    canSAR86676
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1274.69
    AlogP6.40
    HBond donors10
    HBond acceptors24
    Atoms189
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR86676.