General Information of the Compound
| Compound ID |
CP0554835
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| Compound Name |
2-[3-[[5-tert-butyl-2-methoxy-3-[[2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetyl]amino]phenyl]sulfamoyl]propyl-(carboxymethyl)amino]acetic acid
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| Structure |
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| Formula |
C36H46N4O11S
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| Molecular Weight |
742.848
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| Canonical SMILES |
COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(cc1NS(=O)(=O)CCCN(CC(O)=O)CC(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C36H46N4O11S/c1-36(2,3)24-20-28(34(49-4)29(21-24)38-52(47,48)19-7-12-40(22-31(41)42)23-32(43)44)37-35(46)33(45)27-10-11-30(26-9-6-5-8-25(26)27)51-18-15-39-13-16-50-17-14-39/h5-6,8-11,20-21,38H,7,12-19,22-23H2,1-4H3,(H,37,46)(H,41,42)(H,43,44)
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| InChIKey |
GDNKEGLHGCLIOU-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