General Information of the Compound
| Compound ID |
CP0082123
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| Compound Name |
7-(4-fluorobenzyl)-2-(4-(piperidin-1-ylmethyl)phenethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
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| Structure |
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| Formula |
C28H32FN3O
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| Molecular Weight |
445.582
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| Canonical SMILES |
Fc1ccc(Cc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
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| InChI |
InChI=1S/C28H32FN3O/c29-26-10-8-23(9-11-26)18-25-19-27-28(33)31(16-17-32(27)21-25)15-12-22-4-6-24(7-5-22)20-30-13-2-1-3-14-30/h4-11,19,21H,1-3,12-18,20H2
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| InChIKey |
WBVAZKKBRDFWSE-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