General Information of the Compound
| Compound ID |
CP0539792
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| Compound Name |
1-N-[2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methylquinolin-4-yl]propane-1,2-diamine
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| Structure |
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| Formula |
C23H27FN4
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| Molecular Weight |
378.495
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| Canonical SMILES |
CC(N)CNc1cc(nc2ccc(C)cc12)N1CCCc2ccc(F)cc2C1
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| InChI |
InChI=1S/C23H27FN4/c1-15-5-8-21-20(10-15)22(26-13-16(2)25)12-23(27-21)28-9-3-4-17-6-7-19(24)11-18(17)14-28/h5-8,10-12,16H,3-4,9,13-14,25H2,1-2H3,(H,26,27)
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| InChIKey |
MTAYJESGAUBTAR-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