General Information of the Compound
| Compound ID |
CP0449421
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| Compound Name |
7-(4-fluorobenzyl)-9-hydroxy-6-methylene-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl dimethylsulfamate
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| Formula |
C21H18FN3O5S
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| Molecular Weight |
443.456
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| Canonical SMILES |
CN(C)S(=O)(=O)Oc1c2C(=C)N(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
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| InChI |
InChI=1S/C21H18FN3O5S/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/h4-10,26H,1,11H2,2-3H3
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| InChIKey |
VTUOOQGXKLBRMW-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