General Information of the Compound
| Compound ID |
CP0141572
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| Compound Name |
2-[5-(2-amino-1,3-benzothiazol-6-yl)pyridin-2-yl]oxyethanol
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| Structure |
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| Formula |
C14H13N3O2S
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| Molecular Weight |
287.344
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| Canonical SMILES |
Nc1nc2ccc(cc2s1)-c1ccc(OCCO)nc1
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| InChI |
InChI=1S/C14H13N3O2S/c15-14-17-11-3-1-9(7-12(11)20-14)10-2-4-13(16-8-10)19-6-5-18/h1-4,7-8,18H,5-6H2,(H2,15,17)
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| InChIKey |
VFAOZGIUZWPHKS-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