General Information of the Compound
| Compound ID |
CP0444455
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| Compound Name |
methyl 2-[4-[[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]amino]phenoxy]acetate
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| Structure |
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| Formula |
C18H19N7O6S
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| Molecular Weight |
461.46
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| Canonical SMILES |
COC(=O)COc1ccc(NC(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)cc1
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| InChI |
InChI=1S/C18H19N7O6S/c1-30-15(26)10-31-13-6-2-12(3-7-13)22-18(27)25-16(19)23-17(24-25)21-11-4-8-14(9-5-11)32(20,28)29/h2-9H,10H2,1H3,(H,22,27)(H2,20,28,29)(H3,19,21,23,24)
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| InChIKey |
YOPTXGDOMWBLDF-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