General Information of the Compound
| Compound ID |
CP0571986
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| Compound Name |
2-[1-(3-chloro-4-cyanophenyl)pyrazol-3-yl]-N-(4-fluorophenyl)acetamide
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| Structure |
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| Formula |
C18H12ClFN4O
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| Molecular Weight |
354.772
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| Canonical SMILES |
Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(Cl)c2)cc1
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| InChI |
InChI=1S/C18H12ClFN4O/c19-17-10-16(6-1-12(17)11-21)24-8-7-15(23-24)9-18(25)22-14-4-2-13(20)3-5-14/h1-8,10H,9H2,(H,22,25)
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| InChIKey |
MKPJMWMFZSSCLJ-UHFFFAOYSA-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