General Information of the Compound
| Compound ID |
CP0370430
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| Compound Name |
7-(4-fluorophenethyl)-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 |
C29H34FN3O
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| Molecular Weight |
459.609
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| Canonical SMILES |
Fc1ccc(CCc2cc3C(=O)N(CCc4ccc(CN5CCCCC5)cc4)CCn3c2)cc1
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| InChI |
InChI=1S/C29H34FN3O/c30-27-12-10-23(11-13-27)6-9-26-20-28-29(34)32(18-19-33(28)22-26)17-14-24-4-7-25(8-5-24)21-31-15-2-1-3-16-31/h4-5,7-8,10-13,20,22H,1-3,6,9,14-19,21H2
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| InChIKey |
KGHVDSQXDOYOLW-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