General Information of the Compound
| Compound ID |
CP0849650
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| Compound Name |
1-(2-oxo-1,2-dihydroquinoline-4-carbonyl)-1H-1,2,4-triazole-5-carbonitrile
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| Structure |
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| Formula |
C13H7N5O2
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| Molecular Weight |
265.232
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| Canonical SMILES |
N#Cc1ncnn1C(=O)c1cc(=O)[nH]c2ccccc12
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| InChI |
InChI=1S/C13H7N5O2/c14-6-11-15-7-16-18(11)13(20)9-5-12(19)17-10-4-2-1-3-8(9)10/h1-5,7H,(H,17,19)
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| InChIKey |
XXKVMXDKVFFSCX-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
Protein ID: PT04119, DNA dC->dU-editing enzyme APOBEC-3A
Protein ID: PT07131, DNA dC->dU-editing enzyme APOBEC-3B
Protein ID: PT04106, DNA dC->dU-editing enzyme APOBEC-3G