General Information of the Compound
| Compound ID |
CP0548885
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| Compound Name |
N-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
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| Structure |
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| Formula |
C24H20F4N2O
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| Molecular Weight |
428.429
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| Canonical SMILES |
Fc1ccc(NC(=O)N2CCCc3ccccc3C2c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H20F4N2O/c25-19-11-13-20(14-12-19)29-23(31)30-15-3-5-16-4-1-2-6-21(16)22(30)17-7-9-18(10-8-17)24(26,27)28/h1-2,4,6-14,22H,3,5,15H2,(H,29,31)
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| InChIKey |
SJUVPIYITQNSAG-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