General Information of the Compound
| Compound ID |
CP0515778
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| Compound Name |
7-(4-fluorobenzyl)-9-hydroxy-6-methyl-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl dimethylsulfamate
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| Structure |
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| Formula |
C21H20FN3O5S
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| Molecular Weight |
445.472
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| Canonical SMILES |
CC1N(Cc2ccc(F)cc2)C(=O)c2c1c(OS(=O)(=O)N(C)C)c1cccnc1c2O
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| InChI |
InChI=1S/C21H20FN3O5S/c1-12-16-17(21(27)25(12)11-13-6-8-14(22)9-7-13)19(26)18-15(5-4-10-23-18)20(16)30-31(28,29)24(2)3/h4-10,12,26H,11H2,1-3H3
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| InChIKey |
ICBVLBQDAJSTNX-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