General Information of the Compound
| Compound ID |
CP0035385
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| Compound Name |
4-{[3-(2-aminoethyl)phenyl]carbonyl}-1-(4-fluorophenyl)-1H-pyrazol-5-amine
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| Structure |
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| Formula |
C18H17FN4O
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| Molecular Weight |
324.359
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| Canonical SMILES |
NCCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H17FN4O/c19-14-4-6-15(7-5-14)23-18(21)16(11-22-23)17(24)13-3-1-2-12(10-13)8-9-20/h1-7,10-11H,8-9,20-21H2
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| InChIKey |
PGYCOFUREUQZPC-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