General Information of the Compound
| Compound ID |
CP0254560
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| Compound Name |
2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl)-propionylamino]-benzoic acid
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| Structure |
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| Formula |
C19H15N3O4S
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| Molecular Weight |
381.413
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| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21
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| InChI |
InChI=1S/C19H15N3O4S/c23-12-6-7-15-16(9-12)27-19-20-11(10-22(15)19)5-8-17(24)21-14-4-2-1-3-13(14)18(25)26/h1-4,6-7,9-10,23H,5,8H2,(H,21,24)(H,25,26)
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| InChIKey |
VAFOLZBSCNLCQB-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