General Information of the Compound
| Compound ID |
CP0913573
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| Compound Name |
3-[5-(3-Chloro-phenyl)-1H-[1,2,4]triazol-3-yl]-N-isopropyl-N-methyl-acrylamide
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| Structure |
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| Formula |
C15H17ClN4O
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| Molecular Weight |
304.781
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| Canonical SMILES |
CC(C)N(C)C(=O)/C=C/c1n[nH]c(-c2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C15H17ClN4O/c1-10(2)20(3)14(21)8-7-13-17-15(19-18-13)11-5-4-6-12(16)9-11/h4-10H,1-3H3,(H,17,18,19)/b8-7+
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| InChIKey |
FDVFEJBUEGQXRW-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