General Information of the Compound
| Compound ID |
CP0068569
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| Compound Name |
(7S,8R,11S)-8-[3-(2,5-dimethoxy-phenyl)-propyl]-9-oxo-2-oxa-10-aza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-7,11-dicarboxylic acid 7-hydroxyamide 11-methylamide
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| Structure |
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| Formula |
C29H39N3O7
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| Molecular Weight |
541.645
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| Canonical SMILES |
CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3cc(OC)ccc3OC)C(=O)N1)C(=O)NO)cc2
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| InChI |
InChI=1S/C29H39N3O7/c1-30-29(35)25-17-19-10-12-21(13-11-19)39-16-5-4-8-24(28(34)32-36)23(27(33)31-25)9-6-7-20-18-22(37-2)14-15-26(20)38-3/h10-15,18,23-25,36H,4-9,16-17H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)/t23-,24+,25+/m1/s1
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| InChIKey |
LBQUSUPCYKIDFL-DSITVLBTSA-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