General Information of the Compound
| Compound ID |
CP0374891
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| Compound Name |
3-(7-(4-fluorobenzyl)-9-hydroxy-5-methoxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-6-ylthio)propanoic acid
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| Structure |
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| Formula |
C22H19FN2O5S
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| Molecular Weight |
442.468
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| Canonical SMILES |
COc1c2C(SCCC(O)=O)N(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
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| InChI |
InChI=1S/C22H19FN2O5S/c1-30-20-14-3-2-9-24-18(14)19(28)16-17(20)22(31-10-8-15(26)27)25(21(16)29)11-12-4-6-13(23)7-5-12/h2-7,9,22,28H,8,10-11H2,1H3,(H,26,27)
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| InChIKey |
VUSBYVLPNZQPMU-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