General Information of the Compound
| Compound ID |
CP0475116
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| Compound Name |
1-[[2-(azetidin-1-yl)-6-chloro-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C16H15ClN4O2S
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| Molecular Weight |
362.842
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CCC1)C(O)=O
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| InChI |
InChI=1S/C16H15ClN4O2S/c1-9-5-12(15(22)23)19-21(9)8-10-6-11(17)7-13-14(10)18-16(24-13)20-3-2-4-20/h5-7H,2-4,8H2,1H3,(H,22,23)
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| InChIKey |
GIBBLRAUSPTSMN-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