General Information of the Compound
| Compound ID |
CP0914432
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| Compound Name |
(Z)-isopropyl 3-(3-(2-chlorothiazol-4-yl)-1H-1,2,4-triazol-1-yl)acrylate
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| Structure |
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| Formula |
C11H11ClN4O2S
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| Molecular Weight |
298.755
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| Canonical SMILES |
CC(C)OC(=O)/C=C\n1cnc(-c2csc(Cl)n2)n1
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| InChI |
InChI=1S/C11H11ClN4O2S/c1-7(2)18-9(17)3-4-16-6-13-10(15-16)8-5-19-11(12)14-8/h3-7H,1-2H3/b4-3-
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| InChIKey |
DXYLPEKSVLTHPH-ARJAWSKDSA-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