General Information of the Compound
| Compound ID |
CP0474110
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| Compound Name |
N-[5-tert-butyl-3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylsulfonylamino]-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C36H50N4O10S
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| Molecular Weight |
730.881
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| Canonical SMILES |
COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(=O)(=O)CCCNC(CO)(CO)CO)C(C)(C)C
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| InChI |
InChI=1S/C36H50N4O10S/c1-35(2,3)25-20-29(33(48-4)30(21-25)39-51(46,47)19-7-12-37-36(22-41,23-42)24-43)38-34(45)32(44)28-10-11-31(27-9-6-5-8-26(27)28)50-18-15-40-13-16-49-17-14-40/h5-6,8-11,20-21,37,39,41-43H,7,12-19,22-24H2,1-4H3,(H,38,45)
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| InChIKey |
FCLNIIIXXITBCL-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