General Information of the Compound
| Compound ID |
CP0334186
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| Compound Name |
3,3'-difluoro-4'-(pyridin-2-ylaminomethyl)-biphenyl-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C20H16F2N2O2
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| Molecular Weight |
354.356
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CNc2ccccn2)c(F)c1
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| InChI |
InChI=1S/C20H16F2N2O2/c1-26-20(25)19-15(5-4-6-16(19)21)13-8-9-14(17(22)11-13)12-24-18-7-2-3-10-23-18/h2-11H,12H2,1H3,(H,23,24)
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| InChIKey |
QFANIHXSNQVFLE-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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