General Information of the Compound
| Compound ID |
CP0077428
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| Compound Name |
(7S,8R,11S)-11-benzoyl-8-[3-(3,5-dimethoxy-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 |
C34H40N2O7
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| Molecular Weight |
588.701
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| Canonical SMILES |
COc1cc(CCC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)c2ccccc2)cc3)C(=O)NO)cc(OC)c1
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| InChI |
InChI=1S/C34H40N2O7/c1-41-27-19-24(20-28(22-27)42-2)9-8-13-29-30(34(39)36-40)12-6-7-18-43-26-16-14-23(15-17-26)21-31(35-33(29)38)32(37)25-10-4-3-5-11-25/h3-5,10-11,14-17,19-20,22,29-31,40H,6-9,12-13,18,21H2,1-2H3,(H,35,38)(H,36,39)/t29-,30+,31+/m1/s1
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| InChIKey |
NUWGCPAPIJNAPL-AYQJTBPPSA-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