General Information of the Compound
| Compound ID |
CP0456053
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| Compound Name |
(2S)-8-Methyl-2-[(4-quinolin-2-yl-1,4-diazepan-1-yl)methyl]-2,3-dihydro[1,4]dioxino[2,3-f]-quinoline
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| Structure |
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1
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| InChI |
InChI=1S/C27H28N4O2/c1-19-7-9-22-24(28-19)10-11-25-27(22)33-21(18-32-25)17-30-13-4-14-31(16-15-30)26-12-8-20-5-2-3-6-23(20)29-26/h2-3,5-12,21H,4,13-18H2,1H3/t21-/m0/s1
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| InChIKey |
KWZZWBAMWMYJDW-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