General Information of the Compound
| Compound ID |
CP0572667
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| Compound Name |
N-[3-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethylsulfonylamino)-5-tert-butyl-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide;chloride
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| Structure |
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| Formula |
C36H48ClN5O7S
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| Molecular Weight |
730.328
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| Canonical SMILES |
[Cl-].COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(=O)(=O)C[N+]12CCN(CC1)CC2)C(C)(C)C
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| InChI |
InChI=1S/C36H47N5O7S.ClH/c1-36(2,3)26-23-30(34(46-4)31(24-26)38-49(44,45)25-41-17-11-39(12-18-41)13-19-41)37-35(43)33(42)29-9-10-32(28-8-6-5-7-27(28)29)48-22-16-40-14-20-47-21-15-40;/h5-10,23-24,38H,11-22,25H2,1-4H3;1H
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| InChIKey |
PBJYTTMYXWFHQO-UHFFFAOYSA-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