General Information of the Compound
| Compound ID |
CP0851603
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| Compound Name |
(E)-1-(2-(2-((4'-chloro-4-fluorobiphenyl-2-yl)methylene)hydrazinyl)ethyl)piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C21H23ClFN3O2
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| Molecular Weight |
403.885
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| Canonical SMILES |
O=C(O)C1CCCN(CCN/N=C/c2cc(F)ccc2-c2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C21H23ClFN3O2/c22-18-5-3-15(4-6-18)20-8-7-19(23)12-17(20)13-25-24-9-11-26-10-1-2-16(14-26)21(27)28/h3-8,12-13,16,24H,1-2,9-11,14H2,(H,27,28)/b25-13+
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| InChIKey |
BIQSIIGSYMTDTN-DHRITJCHSA-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