General Information of the Compound
| Compound ID |
CP0864421
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| Compound Name |
(E)-N-(3-Chloro-phenyl)-3-[3-(3-chloro-phenyl)-[1,2,4]-triazol-1-yl]-acryl amide
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| Structure |
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| Formula |
C17H12Cl2N4O
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| Molecular Weight |
359.216
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| Canonical SMILES |
O=C(/C=C/n1cnc(-c2cccc(Cl)c2)n1)Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C17H12Cl2N4O/c18-13-4-1-3-12(9-13)17-20-11-23(22-17)8-7-16(24)21-15-6-2-5-14(19)10-15/h1-11H,(H,21,24)/b8-7+
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| InChIKey |
RDOUAVHSGMOJNR-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