General Information of the Compound
| Compound ID |
CP0969415
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| Compound Name |
N-(5-cyano-2-(4-(2,4,6-trifluorobenzyl)piperazin-1-yl)pyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H22F3N7O2
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| Molecular Weight |
485.47
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| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2c(F)cc(F)cc2F)CC1
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| InChI |
InChI=1S/C23H22F3N7O2/c1-31-12-17(23(30-31)35-2)22(34)29-20-7-14(10-27)11-28-21(20)33-5-3-32(4-6-33)13-16-18(25)8-15(24)9-19(16)26/h7-9,11-12H,3-6,13H2,1-2H3,(H,29,34)
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| InChIKey |
NFNDENVYLRBLMY-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