General Information of the Compound
| Compound ID |
CP0953839
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| Compound Name |
N-(5-cyano-2-(4-(5-cyano-2-fluorobenzyl)piperidin-1-yl)pyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H23FN8O2
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| Molecular Weight |
474.5
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| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2cc(C#N)ccc2F)CC1
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| InChI |
InChI=1S/C24H23FN8O2/c1-31-15-19(24(30-31)35-2)23(34)29-21-10-17(12-27)13-28-22(21)33-7-5-32(6-8-33)14-18-9-16(11-26)3-4-20(18)25/h3-4,9-10,13,15H,5-8,14H2,1-2H3,(H,29,34)
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| InChIKey |
KJKUDTIUWYEPIP-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