General Information of the Compound
| Compound ID |
CP0408529
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| Compound Name |
2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methyl-N-(2-morpholin-4-ylethyl)quinolin-4-amine
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| Structure |
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| Formula |
C26H31FN4O
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| Molecular Weight |
434.559
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| Canonical SMILES |
Cc1ccc2nc(cc(NCCN3CCOCC3)c2c1)N1CCCc2ccc(F)cc2C1
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| InChI |
InChI=1S/C26H31FN4O/c1-19-4-7-24-23(15-19)25(28-8-10-30-11-13-32-14-12-30)17-26(29-24)31-9-2-3-20-5-6-22(27)16-21(20)18-31/h4-7,15-17H,2-3,8-14,18H2,1H3,(H,28,29)
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| InChIKey |
ARCMBWUUXXJWPT-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