General Information of the Compound
| Compound ID |
CP0924832
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| Compound Name |
4-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-3-hydroxybenzonitrile
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| Formula |
C17H11N3O3
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| Molecular Weight |
305.293
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| Canonical SMILES |
N#Cc1ccc(Nc2c(O)c(=O)/c2=N\c2ccccc2)c(O)c1
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| InChI |
InChI=1S/C17H11N3O3/c18-9-10-6-7-12(13(21)8-10)20-15-14(16(22)17(15)23)19-11-4-2-1-3-5-11/h1-8,20-21,23H/b19-14-
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| InChIKey |
BOQJQGXQTSTUFZ-RGEXLXHISA-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