General Information of the Compound
| Compound ID |
CP0909319
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| Compound Name |
2-(4-fluorophenyl)-2-(4-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperazin-1-yl)acetonitrile
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| Structure |
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| Formula |
C23H21FN8O2
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| Molecular Weight |
460.473
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(C(C#N)c3ccc(F)cc3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H21FN8O2/c1-15-18(14-26-32(15)23-27-21(33)19-3-2-8-31(19)28-23)22(34)30-11-9-29(10-12-30)20(13-25)16-4-6-17(24)7-5-16/h2-8,14,20H,9-12H2,1H3,(H,27,28,33)
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| InChIKey |
FJNBWRPASIENCF-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