General Information of the Compound
| Compound ID |
CP0877594
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| Compound Name |
3-(4-(pyridin-3-yl)phenyl)-1-(pyrrolidin-1-yl)propan-1-one
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| Structure |
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| Formula |
C18H20N2O
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| Molecular Weight |
280.371
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| Canonical SMILES |
O=C(CCc1ccc(-c2cccnc2)cc1)N1CCCC1
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| InChI |
InChI=1S/C18H20N2O/c21-18(20-12-1-2-13-20)10-7-15-5-8-16(9-6-15)17-4-3-11-19-14-17/h3-6,8-9,11,14H,1-2,7,10,12-13H2
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| InChIKey |
LGUYHZSWVQYXES-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