General Information of the Compound
| Compound ID |
CP0946426
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| Compound Name |
N-(2-(4-(4-cyano-3-fluorobenzyl)piperazin-1-yl)-5-methylpyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H26FN7O2
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| Molecular Weight |
463.517
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| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cc(C)cnc1N1CCN(Cc2ccc(C#N)c(F)c2)CC1
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| InChI |
InChI=1S/C24H26FN7O2/c1-16-10-21(28-23(33)19-15-30(2)29-24(19)34-3)22(27-13-16)32-8-6-31(7-9-32)14-17-4-5-18(12-26)20(25)11-17/h4-5,10-11,13,15H,6-9,14H2,1-3H3,(H,28,33)
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| InChIKey |
XHDBWZQEPVOTMQ-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