General Information of the Compound
| Compound ID |
CP0490100
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| Compound Name |
3-[5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-benzonitrile
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| Structure |
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| Formula |
C17H11FN4O
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| Molecular Weight |
306.3
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#N
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| InChI |
InChI=1S/C17H11FN4O/c18-13-4-6-14(7-5-13)22-17(20)15(10-21-22)16(23)12-3-1-2-11(8-12)9-19/h1-8,10H,20H2
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| InChIKey |
MFQSMNKWWIQGSS-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