General Information of the Compound
| Compound ID |
CP0564658
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| Compound Name |
4-[hydroxy(pyridin-2-yl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
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| Structure |
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| Formula |
C21H17N3O3S
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| Molecular Weight |
391.452
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| Canonical SMILES |
COc1ccc2nc(NC(=O)c3ccc(cc3)C(O)c3ccccn3)sc2c1
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| InChI |
InChI=1S/C21H17N3O3S/c1-27-15-9-10-16-18(12-15)28-21(23-16)24-20(26)14-7-5-13(6-8-14)19(25)17-4-2-3-11-22-17/h2-12,19,25H,1H3,(H,23,24,26)
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| InChIKey |
NEGZXHWGOCEDFT-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