General Information of the Compound
| Compound ID |
CP0495784
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| Compound Name |
3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-2-hydroxybenzonitrile
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| Structure |
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| Formula |
C17H11N3O3
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| Molecular Weight |
305.293
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| Canonical SMILES |
Oc1c(Nc2c(Nc3ccccc3)c(=O)c2=O)cccc1C#N
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| InChI |
InChI=1S/C17H11N3O3/c18-9-10-5-4-8-12(15(10)21)20-14-13(16(22)17(14)23)19-11-6-2-1-3-7-11/h1-8,19-21H
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| InChIKey |
NVXPUOGEGKEBSS-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