General Information of the Compound
| Compound ID |
CP0947205
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| Compound Name |
4-ethyl-1-(1-(7-fluoro-4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carbonitrile
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| Structure |
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| Formula |
C19H20FN7O2
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| Molecular Weight |
397.414
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| Canonical SMILES |
CCC1(C#N)CCN(C(=O)c2cnn(-c3nn4c(F)ccc4c(=O)[nH]3)c2C)CC1
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| InChI |
InChI=1S/C19H20FN7O2/c1-3-19(11-21)6-8-25(9-7-19)17(29)13-10-22-26(12(13)2)18-23-16(28)14-4-5-15(20)27(14)24-18/h4-5,10H,3,6-9H2,1-2H3,(H,23,24,28)
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| InChIKey |
GSTDKMXWCIRRFB-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