General Information of the Compound
| Compound ID |
CP0574673
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| Compound Name |
6-[4-[[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]amino]phenyl]pyrazine-2-carboxylic acid
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| Structure |
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| Formula |
C20H17N9O5S
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| Molecular Weight |
495.481
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| Canonical SMILES |
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1cncc(n1)C(O)=O
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| InChI |
InChI=1S/C20H17N9O5S/c21-18-27-19(24-12-5-7-14(8-6-12)35(22,33)34)28-29(18)20(32)25-13-3-1-11(2-4-13)15-9-23-10-16(26-15)17(30)31/h1-10H,(H,25,32)(H,30,31)(H2,22,33,34)(H3,21,24,27,28)
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| InChIKey |
HUTQJUBSIIMGIR-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