General Information of the Compound
| Compound ID |
CP0393308
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| Compound Name |
N'-[2-(5,5-difluoro-3,4-dihydro-1H-2-benzazepin-2-yl)-6-methylquinolin-4-yl]ethane-1,2-diamine
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| Structure |
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| Formula |
C22H24F2N4
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| Molecular Weight |
382.458
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| Canonical SMILES |
Cc1ccc2nc(cc(NCCN)c2c1)N1CCC(F)(F)c2ccccc2C1
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| InChI |
InChI=1S/C22H24F2N4/c1-15-6-7-19-17(12-15)20(26-10-9-25)13-21(27-19)28-11-8-22(23,24)18-5-3-2-4-16(18)14-28/h2-7,12-13H,8-11,14,25H2,1H3,(H,26,27)
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| InChIKey |
GYXTZQMLCDYNPB-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