General Information of the Compound
| Compound ID |
CP0558757
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| Compound Name |
N'-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-(trifluoromethyl)quinolin-4-yl]ethane-1,2-diamine
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| Structure |
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| Formula |
C22H23F3N4
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| Molecular Weight |
400.448
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| Canonical SMILES |
NCCNc1cc(nc2ccc(cc12)C(F)(F)F)N1CCCc2ccccc2C1
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| InChI |
InChI=1S/C22H23F3N4/c23-22(24,25)17-7-8-19-18(12-17)20(27-10-9-26)13-21(28-19)29-11-3-6-15-4-1-2-5-16(15)14-29/h1-2,4-5,7-8,12-13H,3,6,9-11,14,26H2,(H,27,28)
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| InChIKey |
CFQJELYFWIPTPL-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