General Information of the Compound
| Compound ID |
CP0637400
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| Compound Name |
2'-(2-((pyridin-2-yl)methylene)hydrazinyl)-1',3'-benzothiazole
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| Structure |
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| Formula |
C13H10N4S
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| Molecular Weight |
254.318
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| Canonical SMILES |
C(=N/Nc1nc2ccccc2s1)\c1ccccn1
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| InChI |
InChI=1S/C13H10N4S/c1-2-7-12-11(6-1)16-13(18-12)17-15-9-10-5-3-4-8-14-10/h1-9H,(H,16,17)/b15-9+
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| InChIKey |
RJWORGFBUGFUNZ-OQLLNIDSSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8