General Information of the Compound
| Compound ID |
CP0440299
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| Compound Name |
(3,5-difluorophenyl)methyl 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carboxylate
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| Structure |
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| Formula |
C20H17F2N3O5S
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| Molecular Weight |
449.435
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| Canonical SMILES |
Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)OCc1cc(F)cc(F)c1
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| InChI |
InChI=1S/C20H17F2N3O5S/c21-13-8-12(9-14(22)10-13)11-30-20(27)17-18(26)16-15(4-3-5-23-16)19(24-17)25-6-1-2-7-31(25,28)29/h3-5,8-10,26H,1-2,6-7,11H2
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| InChIKey |
GIMNCTGYDFLCOU-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