General Information of the Compound
| Compound ID |
CP0962086
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| Compound Name |
1-(1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C22H19N7O2
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| Molecular Weight |
413.441
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| Canonical SMILES |
N#CC1(c2ccccc2)CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2)CC1
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| InChI |
InChI=1S/C22H19N7O2/c23-15-22(17-5-2-1-3-6-17)8-11-27(12-9-22)20(31)16-13-24-29(14-16)21-25-19(30)18-7-4-10-28(18)26-21/h1-7,10,13-14H,8-9,11-12H2,(H,25,26,30)
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| InChIKey |
GKPQYVIFPQPUJP-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