General Information of the Compound
| Compound ID |
CP0420676
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| Compound Name |
(E)-3-[4-[[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]amino]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C18H17N7O5S
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| Molecular Weight |
443.445
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| Canonical SMILES |
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C18H17N7O5S/c19-16-23-17(21-12-6-8-14(9-7-12)31(20,29)30)24-25(16)18(28)22-13-4-1-11(2-5-13)3-10-15(26)27/h1-10H,(H,22,28)(H,26,27)(H2,20,29,30)(H3,19,21,23,24)/b10-3+
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| InChIKey |
YWVAPKXATJOMEM-XCVCLJGOSA-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