General Information of the Compound
| Compound ID |
CP0930886
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| Compound Name |
(E)-N-(4-Amino-phenyl)-3-[3-(3-chloro-phenyl)-[1,2,4]-triazol-1-yl]-acrylamide
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| Structure |
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| Formula |
C17H14ClN5O
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| Molecular Weight |
339.786
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| Canonical SMILES |
Nc1ccc(NC(=O)/C=C/n2cnc(-c3cccc(Cl)c3)n2)cc1
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| InChI |
InChI=1S/C17H14ClN5O/c18-13-3-1-2-12(10-13)17-20-11-23(22-17)9-8-16(24)21-15-6-4-14(19)5-7-15/h1-11H,19H2,(H,21,24)/b9-8+
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| InChIKey |
UFBGPWSHVRYAPK-CMDGGOBGSA-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