canSAR286096
FEATURES
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NAMES
    SMILES
    CO[C@H]1/C=C/C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCCCCCCCCNC3=C4C[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(=CC3=O)C4=O)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
    InChI
    InChI=1S/C68H100N6O16/c1-39-31-47-57(51(75)37-49(61(47)79)73-65(81)41(3)25-23-27-53(85-9)63(89-67(69)83)45(7)35-43(5)59(77)55(33-39)87-11)71-29-21-19-17-15-13-14-16-18-20-22-30-72-58-48-32-40(2)34-56(88-12)60(78)44(6)36-46(8)64(90-68(70)84)54(86-10)28-24-26-42(4)66(82)74-50(62(48)80)38-52(58)76/h23-28,35-40,43-44,53-56,59-60,63-64,71-72,77-78H,13-22,29-34H2,1-12H3,(H2,69,83)(H2,70,84)(H,73,81)(H,74,82)/b27-23+,28-24+,41-25+,42-26+,45-35+,46-36+/t39-,40-,43+,44+,53+,54+,55+,56+,59-,60-,63+,64+/m1/s1
    MOLECULAR FORMULA
    C68H100N6O16
    CROSS REFERENCES
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    canSAR286096
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1256.72
    AlogP7.62
    HBond donors10
    HBond acceptors22
    Atoms190
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR286096.