General Information of the Compound
| Compound ID |
CP0444530
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| Compound Name |
5-[4-[[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]amino]phenyl]-1,3,4-oxadiazole-2-carboxylic acid
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| Structure |
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| Formula |
C18H15N9O6S
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| Molecular Weight |
485.442
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| Canonical SMILES |
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1nnc(o1)C(O)=O
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| InChI |
InChI=1S/C18H15N9O6S/c19-16-23-17(21-10-5-7-12(8-6-10)34(20,31)32)26-27(16)18(30)22-11-3-1-9(2-4-11)13-24-25-14(33-13)15(28)29/h1-8H,(H,22,30)(H,28,29)(H2,20,31,32)(H3,19,21,23,26)
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| InChIKey |
PIYQEJUEHKPGHB-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