General Information of the Compound
| Compound ID |
CP0823404
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| Compound Name |
3-fluoro-1-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)pyrrolidine-3-carbonitrile
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| Structure |
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| Formula |
C16H14FN7O2
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| Molecular Weight |
355.333
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(F)(C#N)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C16H14FN7O2/c1-10-11(14(26)22-6-4-16(17,8-18)9-22)7-19-24(10)15-20-13(25)12-3-2-5-23(12)21-15/h2-3,5,7H,4,6,9H2,1H3,(H,20,21,25)
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| InChIKey |
MFLHVPGWUGSQSF-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