canSAR857407
FEATURES
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NAMES
    SMILES
    NC[C@H]1OC(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](COCc4ccc(Cl)cc4)[C@@H](OCc4ccc(Cl)cc4)[C@H](N)[C@H]3OCc3ccc(Cl)cc3)[C@H]2OCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1OCc1ccc(Cl)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C67H71Cl7N4O11.C2HF3O2/c68-46-15-1-39(2-16-46)31-79-38-56-60(80-32-40-3-17-47(69)18-4-40)57(78)62(82-34-42-7-21-49(71)22-8-42)66(87-56)88-58-53(76)29-54(77)59(63(58)83-35-43-9-23-50(72)24-10-43)89-67-65(85-37-45-13-27-52(74)28-14-45)64(84-36-44-11-25-51(73)26-12-44)61(55(30-75)86-67)81-33-41-5-19-48(70)20-6-41;3-2(4,5)1(6)7/h1-28,53-67H,29-38,75-78H2;(H,6,7)/t53-,54+,55-,56-,57+,58+,59-,60-,61-,62-,63-,64+,65-,66-,67?;/m1./s1
    MOLECULAR FORMULA
    C69H72Cl7F3N4O13
    CROSS REFERENCES
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    canSAR857407
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1466.29
    AlogP13.49
    HBond donors9
    HBond acceptors17
    Atoms168
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857407.