General Information of the Compound
| Compound ID |
CP0077433
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| Compound Name |
(7S,8R,11S)-11-benzoyl-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-carboxylic acid hydroxyamide
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| Structure |
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| Formula |
C35H42N2O8
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| Molecular Weight |
618.727
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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)c1OC
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| InChI |
InChI=1S/C35H42N2O8/c1-42-30-21-24(22-31(43-2)33(30)44-3)10-9-14-27-28(35(40)37-41)13-7-8-19-45-26-17-15-23(16-18-26)20-29(36-34(27)39)32(38)25-11-5-4-6-12-25/h4-6,11-12,15-18,21-22,27-29,41H,7-10,13-14,19-20H2,1-3H3,(H,36,39)(H,37,40)/t27-,28+,29+/m1/s1
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| InChIKey |
HKZHDTJNCBXYPY-ULNSLHSMSA-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