General Information of the Compound
| Compound ID |
CP0931283
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| Compound Name |
N-(2-(4-(4-fluorobenzyl)piperazin-1-yl)-6-methylpyridin-3-yl)-5-hydroxy-1-methyl-1H-pyrazole-4-carboxamide
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| Formula |
C22H25FN6O2
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| Molecular Weight |
424.48
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cnn(C)c2O)c(N2CCN(Cc3ccc(F)cc3)CC2)n1
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| InChI |
InChI=1S/C22H25FN6O2/c1-15-3-8-19(26-21(30)18-13-24-27(2)22(18)31)20(25-15)29-11-9-28(10-12-29)14-16-4-6-17(23)7-5-16/h3-8,13,31H,9-12,14H2,1-2H3,(H,26,30)
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| InChIKey |
VZSVYNXXSRKAEI-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