General Information of the Compound
| Compound ID |
CP0638207
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| Compound Name |
N-(2,6-difluorobenzyl)-5-(7-methyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyridin-2-amine
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| Structure |
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| Formula |
C21H18F2N2O2
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| Molecular Weight |
368.383
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| Canonical SMILES |
Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OCCO2
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| InChI |
InChI=1S/C21H18F2N2O2/c1-13-9-19-20(27-8-7-26-19)10-15(13)14-5-6-21(24-11-14)25-12-16-17(22)3-2-4-18(16)23/h2-6,9-11H,7-8,12H2,1H3,(H,24,25)
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| InChIKey |
RHXJHBCGYPESSM-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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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