General Information of the Compound
| Compound ID |
CP0534618
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| Compound Name |
N-[3-[3-[bis(2-hydroxyethyl)amino]propylsulfonylamino]-5-tert-butyl-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C36H50N4O9S
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| Molecular Weight |
714.882
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| Canonical SMILES |
COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(=O)(=O)CCCN(CCO)CCO)C(C)(C)C
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| InChI |
InChI=1S/C36H50N4O9S/c1-36(2,3)26-24-30(34(47-4)31(25-26)38-50(45,46)23-7-12-39(13-18-41)14-19-42)37-35(44)33(43)29-10-11-32(28-9-6-5-8-27(28)29)49-22-17-40-15-20-48-21-16-40/h5-6,8-11,24-25,38,41-42H,7,12-23H2,1-4H3,(H,37,44)
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| InChIKey |
OFCBUOPABBUCIE-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