General Information of the Compound
| Compound ID |
CP0404890
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| Compound Name |
(2S)-2-{[4-(6-Fluoroquinolin-2-yl)-1,4-diazepan-1-yl]methyl}-8-methyl-2,3-dihydro[1,4]dioxino-[2,3-f]quinoline
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| Structure |
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| Formula |
C27H27FN4O2
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| Molecular Weight |
458.537
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| Canonical SMILES |
Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1
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| InChI |
InChI=1S/C27H27FN4O2/c1-18-3-6-22-24(29-18)8-9-25-27(22)34-21(17-33-25)16-31-11-2-12-32(14-13-31)26-10-4-19-15-20(28)5-7-23(19)30-26/h3-10,15,21H,2,11-14,16-17H2,1H3/t21-/m0/s1
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| InChIKey |
SQHSEMNAFSWYMB-NRFANRHFSA-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