General Information of the Compound
| Compound ID |
CP0474760
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| Compound Name |
2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
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| Structure |
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| Formula |
C16H17N5OS
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| Molecular Weight |
327.413
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| Canonical SMILES |
C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2s1
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| InChI |
InChI=1S/C16H17N5OS.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
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| InChIKey |
HOADISQPOJUPOI-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