General Information of the Compound
| Compound ID |
CP0746924
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| Compound Name |
1-(5-methyl-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 |
C23H21N7O2
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| Molecular Weight |
427.468
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H21N7O2/c1-16-18(14-25-30(16)22-26-20(31)19-8-5-11-29(19)27-22)21(32)28-12-9-23(15-24,10-13-28)17-6-3-2-4-7-17/h2-8,11,14H,9-10,12-13H2,1H3,(H,26,27,31)
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| InChIKey |
QNNCJPUEYBYAKK-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