General Information of the Compound
| Compound ID |
CP0486177
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| Compound Name |
2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
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| Structure |
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| Formula |
C26H31FN4
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| Molecular Weight |
418.56
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| Canonical SMILES |
Cc1ccc2nc(cc(NCC3CCCCN3)c2c1)N1CCCc2ccc(F)cc2C1
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| InChI |
InChI=1S/C26H31FN4/c1-18-7-10-24-23(13-18)25(29-16-22-6-2-3-11-28-22)15-26(30-24)31-12-4-5-19-8-9-21(27)14-20(19)17-31/h7-10,13-15,22,28H,2-6,11-12,16-17H2,1H3,(H,29,30)
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| InChIKey |
QPQVDWJAVLAHGC-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