General Information of the Compound
| Compound ID |
CP0524807
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| Compound Name |
N-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C21H17F4N3O
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| Molecular Weight |
403.379
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| Canonical SMILES |
Fc1ccc(NC(=O)N2CCn3cccc3C2c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H17F4N3O/c22-16-7-9-17(10-8-16)26-20(29)28-13-12-27-11-1-2-18(27)19(28)14-3-5-15(6-4-14)21(23,24)25/h1-11,19H,12-13H2,(H,26,29)
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| InChIKey |
ALVVEJLHEPYYOQ-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