General Information of the Compound
| Compound ID |
CP0469212
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| Compound Name |
1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C24H22F3N3O2
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| Molecular Weight |
441.453
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CCCCc3ccccc23)cc1
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| InChI |
InChI=1S/C24H22F3N3O2/c25-24(26,27)32-19-14-12-18(13-15-19)28-23(31)29-20-9-2-4-11-22(20)30-16-6-5-8-17-7-1-3-10-21(17)30/h1-4,7,9-15H,5-6,8,16H2,(H2,28,29,31)
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| InChIKey |
QFFJSBMLUIUWDZ-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