General Information of the Compound
| Compound ID |
CP0063416
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| Compound Name |
(7S,8R,11S)-9-Oxo-8-[3-(3,4,5-trimethoxy-phenyl)-propyl]-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 |
C30H41N3O8
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| Molecular Weight |
571.671
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| Canonical SMILES |
CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3cc(OC)c(OC)c(OC)c3)C(=O)N1)C(=O)NO)cc2
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| InChI |
InChI=1S/C30H41N3O8/c1-31-30(36)24-16-19-11-13-21(14-12-19)41-15-6-5-9-23(29(35)33-37)22(28(34)32-24)10-7-8-20-17-25(38-2)27(40-4)26(18-20)39-3/h11-14,17-18,22-24,37H,5-10,15-16H2,1-4H3,(H,31,36)(H,32,34)(H,33,35)/t22-,23+,24+/m1/s1
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| InChIKey |
XSFCSVRJCFLQJI-SGNDLWITSA-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