General Information of the Compound
| Compound ID |
CP0566083
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| Compound Name |
1-[[6-chloro-2-(2,5-dihydropyrrol-1-yl)-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C17H15ClN4O2S
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| Molecular Weight |
374.853
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2sc(nc12)N1CC=CC1)C(O)=O
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| InChI |
InChI=1S/C17H15ClN4O2S/c1-10-6-13(16(23)24)20-22(10)9-11-7-12(18)8-14-15(11)19-17(25-14)21-4-2-3-5-21/h2-3,6-8H,4-5,9H2,1H3,(H,23,24)
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| InChIKey |
BMXVGSWLIBSGMK-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