General Information of the Compound
| Compound ID |
CP0541963
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| Compound Name |
N-(4-chloro-3-fluorophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C16H11ClFN3O
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| Molecular Weight |
315.735
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| Canonical SMILES |
Fc1cc(NC(=O)c2cc([nH]n2)-c2ccccc2)ccc1Cl
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| InChI |
InChI=1S/C16H11ClFN3O/c17-12-7-6-11(8-13(12)18)19-16(22)15-9-14(20-21-15)10-4-2-1-3-5-10/h1-9H,(H,19,22)(H,20,21)
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| InChIKey |
VEVADZKQQBEBFU-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