General Information of the Compound
| Compound ID |
CP0050653
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| Compound Name |
(7S,8R,11S)-11-Benzoyl-9-oxo-8-(3-p-tolyl-propyl)-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 |
C33H38N2O5
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| Molecular Weight |
542.676
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| Canonical SMILES |
Cc1ccc(CCC[C@@H]2[C@H](CCCCOc3ccc(C[C@H](NC2=O)C(=O)c2ccccc2)cc3)C(=O)NO)cc1
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| InChI |
InChI=1S/C33H38N2O5/c1-23-13-15-24(16-14-23)8-7-12-28-29(33(38)35-39)11-5-6-21-40-27-19-17-25(18-20-27)22-30(34-32(28)37)31(36)26-9-3-2-4-10-26/h2-4,9-10,13-20,28-30,39H,5-8,11-12,21-22H2,1H3,(H,34,37)(H,35,38)/t28-,29+,30+/m1/s1
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| InChIKey |
GIGQELYOVAVUIF-NGDRWEMDSA-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