General Information of the Compound
| Compound ID |
CP0499226
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| Compound Name |
2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethoxy)-1,3-benzothiazole;hydrochloride
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| Structure |
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| Formula |
C18H17F3N4O2S
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| Molecular Weight |
410.421
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| Canonical SMILES |
FC(F)(F)Oc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1
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| InChI |
InChI=1S/C18H17F3N4O2S.ClH/c19-18(20,21)27-13-3-4-15-16(8-13)28-17(24-15)25-7-6-23-9-12(25)11-26-14-2-1-5-22-10-14;/h1-5,8,10,12,23H,6-7,9,11H2;1H
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| InChIKey |
YILYDZUQQKUUFK-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