General Information of the Compound
| Compound ID |
CP0196222
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| Compound Name |
(7S,8R,11S)-11-Benzoyl-8-[3-(3,5-dibromo-phenyl)-propyl]-9-oxo-2-oxa-10-aza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-7-carboxylic acid hydroxyamide
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| Structure |
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| Formula |
C32H34Br2N2O5
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| Molecular Weight |
686.441
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| Canonical SMILES |
ONC(=O)[C@H]1CCCCOc2ccc(C[C@H](NC(=O)[C@@H]1CCCc1cc(Br)cc(Br)c1)C(=O)c1ccccc1)cc2
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| InChI |
InChI=1S/C32H34Br2N2O5/c33-24-17-22(18-25(34)20-24)7-6-11-27-28(32(39)36-40)10-4-5-16-41-26-14-12-21(13-15-26)19-29(35-31(27)38)30(37)23-8-2-1-3-9-23/h1-3,8-9,12-15,17-18,20,27-29,40H,4-7,10-11,16,19H2,(H,35,38)(H,36,39)/t27-,28+,29+/m1/s1
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| InChIKey |
IGKZHEJCICMYIH-ULNSLHSMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound