General Information of the Compound
| Compound ID |
CP0486178
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| Compound Name |
2-[[2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methylquinolin-4-yl]amino]ethanol
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| Structure |
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| Formula |
C22H24FN3O
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| Molecular Weight |
365.452
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| Canonical SMILES |
Cc1ccc2nc(cc(NCCO)c2c1)N1CCCc2ccc(F)cc2C1
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| InChI |
InChI=1S/C22H24FN3O/c1-15-4-7-20-19(11-15)21(24-8-10-27)13-22(25-20)26-9-2-3-16-5-6-18(23)12-17(16)14-26/h4-7,11-13,27H,2-3,8-10,14H2,1H3,(H,24,25)
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| InChIKey |
GVLXAEVMZNYKHZ-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