General Information of the Compound
| Compound ID |
CP0194284
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| Compound Name |
N-(4-fluorophenyl)-1-oxo-2-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C28H31FN4O2
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| Molecular Weight |
474.58
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| Canonical SMILES |
Fc1ccc(NC(=O)c2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
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| InChI |
InChI=1S/C28H31FN4O2/c29-24-8-10-25(11-9-24)30-27(34)23-18-26-28(35)32(16-17-33(26)20-23)15-12-21-4-6-22(7-5-21)19-31-13-2-1-3-14-31/h4-11,18,20H,1-3,12-17,19H2,(H,30,34)
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| InChIKey |
JMKYNJVJUWFQSD-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