General Information of the Compound
| Compound ID |
CP0413866
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| Compound Name |
4-[(4-methyl-3-morpholinosulfonyl-benzoyl)amino]benzoic acid ethyl ester
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| Structure |
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| Formula |
C21H24N2O6S
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| Molecular Weight |
432.498
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)cc1
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| InChI |
InChI=1S/C21H24N2O6S/c1-3-29-21(25)16-6-8-18(9-7-16)22-20(24)17-5-4-15(2)19(14-17)30(26,27)23-10-12-28-13-11-23/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)
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| InChIKey |
CJIYULUIIQBLAZ-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor