canSAR1083220
FEATURES
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NAMES
    SMILES
    CC(N)C(=O)Nc1ccc(C2c3ccc([nH]3)C(c3ccc(NC(=O)C(C)N)cc3)c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc3)c3ccc([nH]3)C(c3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc3)c3ccc2[nH]3)cc1
    InChI
    InChI=1S/C62H68N8O14/c1-29(63)59(79)65-35-11-3-31(4-12-35)49-39-19-20-40(67-39)50(32-5-13-36(14-6-32)66-60(80)30(2)64)42-22-24-44(69-42)52(34-9-17-38(18-10-34)82-62-58(78)56(76)54(74)48(28-72)84-62)46-26-25-45(70-46)51(43-23-21-41(49)68-43)33-7-15-37(16-8-33)81-61-57(77)55(75)53(73)47(27-71)83-61/h3-26,29-30,47-58,61-62,67-78H,27-28,63-64H2,1-2H3,(H,65,79)(H,66,80)/t29?,30?,47-,48-,49?,50?,51?,52?,53+,54+,55-,56-,57-,58-,61+,62+/m0/s1
    MOLECULAR FORMULA
    C62H68N8O14
    CROSS REFERENCES
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    canSAR1083220
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1148.49
    AlogP2.96
    HBond donors18
    HBond acceptors22
    Atoms152
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1083220.