General Information of the Compound
| Compound ID |
CP0886427
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| Compound Name |
(E)-1-(2-(2-((2',4'-bis(trifluoromethyl)biphenyl-2-yl)methylene)hydrazinyl)ethyl)piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C23H23F6N3O2
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| Molecular Weight |
487.444
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| Canonical SMILES |
O=C(O)C1CCCN(CCN/N=C/c2ccccc2-c2ccc(C(F)(F)F)cc2C(F)(F)F)C1
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| InChI |
InChI=1S/C23H23F6N3O2/c24-22(25,26)17-7-8-19(20(12-17)23(27,28)29)18-6-2-1-4-15(18)13-31-30-9-11-32-10-3-5-16(14-32)21(33)34/h1-2,4,6-8,12-13,16,30H,3,5,9-11,14H2,(H,33,34)/b31-13+
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| InChIKey |
LZBLDTSZTPAOKT-IURWMYGYSA-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