General Information of the Compound
| Compound ID |
CP0216156
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| Compound Name |
3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl)prop-2-yn-1-ol
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| Structure |
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| Formula |
C19H14FN3O2
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| Molecular Weight |
335.338
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCO
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| InChI |
InChI=1S/C19H14FN3O2/c20-15-6-8-16(9-7-15)23-19(21)17(12-22-23)18(25)14-5-1-3-13(11-14)4-2-10-24/h1,3,5-9,11-12,24H,10,21H2
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| InChIKey |
ABLHKLIEDOTYMC-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