General Information of the Compound
| Compound ID |
CP0963560
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| Compound Name |
3-methyl-1-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperidine-3-carbonitrile
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| Structure |
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| Formula |
C18H19N7O2
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| Molecular Weight |
365.397
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| Canonical SMILES |
Cc1c(C(=O)N2CCCC(C)(C#N)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H19N7O2/c1-12-13(16(27)23-7-4-6-18(2,10-19)11-23)9-20-25(12)17-21-15(26)14-5-3-8-24(14)22-17/h3,5,8-9H,4,6-7,11H2,1-2H3,(H,21,22,26)
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| InChIKey |
KQKFILYNBFGPNI-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