General Information of the Compound
| Compound ID |
CP0564258
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| Compound Name |
2-[4-[[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl]amino]phenoxy]acetic acid
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| Structure |
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| Formula |
C15H12N6O5S2
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| Molecular Weight |
420.432
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| Canonical SMILES |
Cc1nnc(NC(=O)c2nnc(s2)C(=O)Nc2ccc(OCC(O)=O)cc2)s1
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| InChI |
InChI=1S/C15H12N6O5S2/c1-7-18-21-15(27-7)17-12(25)14-20-19-13(28-14)11(24)16-8-2-4-9(5-3-8)26-6-10(22)23/h2-5H,6H2,1H3,(H,16,24)(H,22,23)(H,17,21,25)
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| InChIKey |
NAGPATBMHFHGRU-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