General Information of the Compound
| Compound ID |
CP0372062
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| Compound Name |
1-(4-fluorophenyl)-4-({4-[3-(morpholin-4-yl)prop-1-yn-1-yl]phenyl}carbonyl)-1H-pyrazol-5-amine
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| Structure |
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| Formula |
C23H21FN4O2
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| Molecular Weight |
404.445
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)C#CCN1CCOCC1
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| InChI |
InChI=1S/C23H21FN4O2/c24-19-7-9-20(10-8-19)28-23(25)21(16-26-28)22(29)18-5-3-17(4-6-18)2-1-11-27-12-14-30-15-13-27/h3-10,16H,11-15,25H2
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| InChIKey |
YKQSZSWWKSGNGQ-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