General Information of the Compound
| Compound ID |
CP0851604
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| Compound Name |
(E)-1-(2-(2-((2',4-difluorobiphenyl-2-yl)methylene)hydrazinyl)ethyl)piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C21H23F2N3O2
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| Molecular Weight |
387.43
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| Canonical SMILES |
O=C(O)C1CCCN(CCN/N=C/c2cc(F)ccc2-c2ccccc2F)C1
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| InChI |
InChI=1S/C21H23F2N3O2/c22-17-7-8-18(19-5-1-2-6-20(19)23)16(12-17)13-25-24-9-11-26-10-3-4-15(14-26)21(27)28/h1-2,5-8,12-13,15,24H,3-4,9-11,14H2,(H,27,28)/b25-13+
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| InChIKey |
MXXBPMDHIAVKDP-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