General Information of the Compound
| Compound ID |
CP0387910
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| Compound Name |
N-[(3,5-difluorophenyl)methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxyquinoline-7-carboxamide
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| Structure |
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| Formula |
C21H19F2N3O4S
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| Molecular Weight |
447.463
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| Canonical SMILES |
Oc1c(cc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1cc(F)cc(F)c1
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| InChI |
InChI=1S/C21H19F2N3O4S/c22-14-8-13(9-15(23)10-14)12-25-21(28)17-11-18(26-6-1-2-7-31(26,29)30)16-4-3-5-24-19(16)20(17)27/h3-5,8-11,27H,1-2,6-7,12H2,(H,25,28)
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| InChIKey |
WBXPKGPWRUNRHX-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