General Information of the Compound
| Compound ID |
CP0549298
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| Compound Name |
N-(4-fluorophenyl)-4-[2-(2-methylanilino)-3,4-dioxocyclobuten-1-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C22H21FN4O3
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| Molecular Weight |
408.433
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| Canonical SMILES |
Cc1ccccc1Nc1c(N2CCN(CC2)C(=O)Nc2ccc(F)cc2)c(=O)c1=O
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| InChI |
InChI=1S/C22H21FN4O3/c1-14-4-2-3-5-17(14)25-18-19(21(29)20(18)28)26-10-12-27(13-11-26)22(30)24-16-8-6-15(23)7-9-16/h2-9,25H,10-13H2,1H3,(H,24,30)
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| InChIKey |
UGSMVZAUCCRIFT-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