General Information of the Compound
| Compound ID |
CP0955684
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| Compound Name |
3-(2-(tert-butylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
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| Formula |
C17H21N3O4
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| Molecular Weight |
331.372
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| Canonical SMILES |
CN(C)C(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/C(C)(C)C)c1O
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| InChI |
InChI=1S/C17H21N3O4/c1-17(2,3)19-12-11(14(22)15(12)23)18-10-8-6-7-9(13(10)21)16(24)20(4)5/h6-8,21-23H,1-5H3/b18-11-,19-12-
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| InChIKey |
ITMVRNAVFXMQQQ-ZAORYEFMSA-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