General Information of the Compound
| Compound ID |
CP0415815
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| Compound Name |
N-[(4-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C17H14FN3O
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| Molecular Weight |
295.317
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| Canonical SMILES |
Fc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C17H14FN3O/c18-14-8-6-12(7-9-14)11-19-17(22)16-10-15(20-21-16)13-4-2-1-3-5-13/h1-10H,11H2,(H,19,22)(H,20,21)
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| InChIKey |
BTEFLQPGMZBGHS-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