General Information of the Compound
| Compound ID |
CP0940266
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| Compound Name |
3-(3,4-dioxo-2-(phenethylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
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| Formula |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
CN(C)C(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/CCc2ccccc2)c1O
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| InChI |
InChI=1S/C21H21N3O4/c1-24(2)21(28)14-9-6-10-15(18(14)25)23-17-16(19(26)20(17)27)22-12-11-13-7-4-3-5-8-13/h3-10,25-27H,11-12H2,1-2H3/b22-16-,23-17-
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| InChIKey |
WIKGNFQSVSEYJK-IDUDEYGOSA-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