General Information of the Compound
| Compound ID |
CP0530652
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| Compound Name |
7-(4-fluorobenzyl)-9-hydroxy-5-methoxy-6,6-dimethyl-6,7-dihydropyrrolo[3,4-g]quinolin-8-one
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| Structure |
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| Formula |
C21H19FN2O3
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| Molecular Weight |
366.392
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| Canonical SMILES |
COc1c2c(C(=O)N(Cc3ccc(F)cc3)C2(C)C)c(O)c2ncccc12
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| InChI |
InChI=1S/C21H19FN2O3/c1-21(2)16-15(18(25)17-14(19(16)27-3)5-4-10-23-17)20(26)24(21)11-12-6-8-13(22)9-7-12/h4-10,25H,11H2,1-3H3
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| InChIKey |
LIQPCMQDIBZBQZ-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