General Information of the Compound
| Compound ID |
CP0953838
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| Compound Name |
N-(2-(4-(4-chloro-2-fluorobenzyl)piperazin-1-yl)-5-cyanopyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H23ClFN7O2
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| Molecular Weight |
483.935
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| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccc(Cl)cc2F)CC1
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| InChI |
InChI=1S/C23H23ClFN7O2/c1-30-14-18(23(29-30)34-2)22(33)28-20-9-15(11-26)12-27-21(20)32-7-5-31(6-8-32)13-16-3-4-17(24)10-19(16)25/h3-4,9-10,12,14H,5-8,13H2,1-2H3,(H,28,33)
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| InChIKey |
OIDGUUIXPDBNON-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