General Information of the Compound
| Compound ID |
CP0090234
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| Compound Name |
4-({3-[3-(dimethylamino)prop-1-yn-1-yl]phenyl}carbonyl)-1-(4-fluorophenyl)-1H-pyrazol-5-amine
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| Structure |
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| Formula |
C21H19FN4O
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| Molecular Weight |
362.408
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| Canonical SMILES |
CN(C)CC#Cc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H19FN4O/c1-25(2)12-4-6-15-5-3-7-16(13-15)20(27)19-14-24-26(21(19)23)18-10-8-17(22)9-11-18/h3,5,7-11,13-14H,12,23H2,1-2H3
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| InChIKey |
VGELWLMQVSZFKX-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