General Information of the Compound
| Compound ID |
CP0497332
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| Compound Name |
(2S)-2-{[4-(6-Bromoquinolin-2-yl)piperazin-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 |
C26H25BrN4O2
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| Molecular Weight |
505.416
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| Canonical SMILES |
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Br)ccc5n4)COc3ccc2n1
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| InChI |
InChI=1S/C26H25BrN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1
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| InChIKey |
YSOKTSGCYIWLTN-FQEVSTJZSA-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