General Information of the Compound
| Compound ID |
CP0462859
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| Compound Name |
3-(2-(benzylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C20H19N3O4
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| Molecular Weight |
365.389
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| Canonical SMILES |
CN(C)C(=O)c1cccc(Nc2c(NCc3ccccc3)c(=O)c2=O)c1O
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| InChI |
InChI=1S/C20H19N3O4/c1-23(2)20(27)13-9-6-10-14(17(13)24)22-16-15(18(25)19(16)26)21-11-12-7-4-3-5-8-12/h3-10,21-22,24H,11H2,1-2H3
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| InChIKey |
HATZRSBFZYTSOM-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