General Information of the Compound
| Compound ID |
CP0772413
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| Compound Name |
N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-2-[2,6-difluoro-4-(pyridin-2-ylmethoxy)phenyl]-2-ethoxyacetamide;hydrochloride
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| Structure |
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| Formula |
C26H28ClF2N5O5
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| Molecular Weight |
563.989
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| Canonical SMILES |
CCOC(C(=O)NCc1ccc(C(=N)N)cc1OCC(N)=O)c1c(F)cc(OCc2ccccn2)cc1F.Cl
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| InChI |
InChI=1S/C26H27F2N5O5.ClH/c1-2-36-24(23-19(27)10-18(11-20(23)28)37-13-17-5-3-4-8-32-17)26(35)33-12-16-7-6-15(25(30)31)9-21(16)38-14-22(29)34;/h3-11,24H,2,12-14H2,1H3,(H2,29,34)(H3,30,31)(H,33,35);1H
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| InChIKey |
YXGVEEYCJOERGZ-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