General Information of the Compound
| Compound ID |
CP0848808
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| Compound Name |
(E)-1-(2-(2-((2',4',6'-trifluorobiphenyl-2-yl)methylene)hydrazinyl)ethyl)piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C21H22F3N3O2
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| Molecular Weight |
405.42
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| Canonical SMILES |
O=C(O)C1CCCN(CCN/N=C/c2ccccc2-c2c(F)cc(F)cc2F)C1
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| InChI |
InChI=1S/C21H22F3N3O2/c22-16-10-18(23)20(19(24)11-16)17-6-2-1-4-14(17)12-26-25-7-9-27-8-3-5-15(13-27)21(28)29/h1-2,4,6,10-12,15,25H,3,5,7-9,13H2,(H,28,29)/b26-12+
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| InChIKey |
NTWKHHFVAWXTOW-RPPGKUMJSA-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