General Information of the Compound
| Compound ID |
CP0942274
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| Compound Name |
(E)-3-[3-(3-Chloro-phenyl)-[1,2,4]-triazol-1-yl]-acrylic acid tert-butyl ester
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| Structure |
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| Formula |
C15H16ClN3O2
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| Molecular Weight |
305.765
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| Canonical SMILES |
CC(C)(C)OC(=O)/C=C/n1cnc(-c2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C15H16ClN3O2/c1-15(2,3)21-13(20)7-8-19-10-17-14(18-19)11-5-4-6-12(16)9-11/h4-10H,1-3H3/b8-7+
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| InChIKey |
VYXKJDGAVZVZAA-BQYQJAHWSA-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