General Information of the Compound
| Compound ID |
CP0068568
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| Compound Name |
(7S,8R,11S)-11-Benzoyl-8-{3-[3-methoxy-5-(2-methoxy-ethoxy)-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 |
C36H44N2O8
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| Molecular Weight |
632.754
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| Canonical SMILES |
COCCOc1cc(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/C36H44N2O8/c1-43-19-20-46-30-22-26(21-29(24-30)44-2)9-8-13-31-32(36(41)38-42)12-6-7-18-45-28-16-14-25(15-17-28)23-33(37-35(31)40)34(39)27-10-4-3-5-11-27/h3-5,10-11,14-17,21-22,24,31-33,42H,6-9,12-13,18-20,23H2,1-2H3,(H,37,40)(H,38,41)/t31-,32+,33+/m1/s1
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| InChIKey |
SMNQMEVQCDUWFV-CEUYOYMZSA-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