General Information of the Compound
| Compound ID |
CP0558762
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| Compound Name |
N-[2-[[2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methylquinolin-4-yl]amino]ethyl]acetamide
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| Structure |
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| Formula |
C24H27FN4O
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| Molecular Weight |
406.505
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| Canonical SMILES |
CC(=O)NCCNc1cc(nc2ccc(C)cc12)N1CCCc2ccc(F)cc2C1
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| InChI |
InChI=1S/C24H27FN4O/c1-16-5-8-22-21(12-16)23(27-10-9-26-17(2)30)14-24(28-22)29-11-3-4-18-6-7-20(25)13-19(18)15-29/h5-8,12-14H,3-4,9-11,15H2,1-2H3,(H,26,30)(H,27,28)
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| InChIKey |
TYYNVIWQZZRXHX-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